C41H43N3O9 Cytidine, N-Benzoyl-5'-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-O-
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 721.80 | - |
Leáphointe (turgnamhach) | 107-110 ° C. | - |
Dlús (tuartha) | 1.26 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 8.60 ± 0.40 | An luas is aigéid: 25 ° C. |
Smiles canónacha o = C1N = C (NC (= O) C = 2C = CC = CC2) C (= CN1C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OCCOC) C)
Smiles isiméireach
C (OC [c@h] 1o [c@h] ([c@h] (occoc) [c @@ h] 1o) n2c (= o) n = c (nc (= o) c3 = cc = cc = c3) c (c) = c2) (c4 = cc = c (oc) c = c4) (c5 = cc = c = c = c = c = c = c = c = c4) c4)
Orlach
Inchi = 1S/C41H43N3O9/C1-27-25-44 (40 (47) 43-37 (27) 42-38 (46) 28-11-7-5-8-12-28) 39-36 (51-24-23-48-48-29-13-13 (45) 34 (53-39) 26-52-41 (298-29) 35 (45) 34 (53-39)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-, 36-, 39-/M1/S1
Eochair Inchi
Byscluaikfefah-lzurgkrnsa-n
23 Ainm eile don tsubstaint seo
N-Benzoyl-5′-O-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-o-o-(2-methoxyethyl) -5-methylcytidine (ACI); 10: PN: WO03084478 Leathanach: 57 RNA a éilíodh; 12: PN: US20030170636 LEATHANACH: 17 a éilíodh r NA; 13: PN: US20030212017 Leathanach: 19 éileamh r NA; 14: PN: US20030
211606 Leathanach: 19 éileamh r NA; 15: PN: US20040005569 Leathanach: 22 éileamh r NA; 16: PN: US20040006030 Leathanach: 22 éileamh r NA; 16: PN: US20040014048 Leathanach: 20 Éilithe r NA; 17: PN: US20030171313 Leathanach: 9 éileamh r NA; 17: PN: US20040005565 Leathanach: 17-22 22 RNA Éilithe; 17: PN: US20040005570 Leathanach: 20 éileamh r NA; 17: PN: US20040014047 Leathanach: 20 éileamh r NA; 17: PN: US20040 014050 Leathanach: 20 Éilithe r NA; 18: PN: US20030198965 Leathanach: 19 éileamh r NA; 18: PN: US20040014699 Leathanach: 20 éileamh r NA; 19: PN: US20040006029 Leathanach: 23 éileamh r NA; 19: PN: WO03106645 Leathanach: 71 a éilíodh r na; 59: PN: US20030166592 Leathanach: 15 RNA a éilítear; 6: PN: WO2005006958 Leathanach: 62 éileamh r NA; 83: PN: US20040171566 Leathanach: 18 a éilíodh r na; 8: PN: WO2005007825
Leathanach: 62 éileamh r na; 90: PN: US20040005707 Leathanach: 20 éileamh r NA; N4-Benzoyl-2′-O-Methoxyethyl-5′-O-DimethoxytrityL-5-
meitilcytidine
Airíonna atá ar fáil |
Teirmeach |
Teirmeach
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Leáphointe | 107-110 ° C. | (1) CAS |
(1) Penjarla, Srishylam; Nucleosides, nucleotides & aigéid núicléasacha, (2018), 37 (4), 232-247, Caplus
Speictrim ar fáil
1H NMR
13c NMR
Airíonna atá ar fáil |
Bitheolaíoch |
Ceimiceán |
Dlús |
Lipinski |
A bhaineann le struchtúr |
Bitheolaíoch
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 291 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 644 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 3690 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 15600 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 23700 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 24800 | pH 6; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 23300 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 14100 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 3010 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 558 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 569 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 1260 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 7210 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 30400 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 46300 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 48500 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 45500 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 27500 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 5890 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 1090 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.16 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 4.50 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 5.26 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 5.88 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 6.07 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 6.09 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 6.06 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 5.84 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 5.17 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 4.44 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 6.093 ± 0.720 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 1.3 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 0.011 g/L. | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 5.0 x 10-3 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 8.7 x 10-4 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.1 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Aifreann tuaslagthachta | 1.4 x 10-4 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.3 x 10-4 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.4 x 10-4 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.3 x 10-4 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.1 x 10-3 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 5.8 x 10-3 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.4 x 10-4 g/l | Uisce neamh -mhaolaithe pH 6.97; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 1.8 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.5 x 10-5 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.9 x 10-6 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.2 x 10-6 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.9 x 10-7 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.8 x 10-7 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.9 x 10-7 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.2 x 10-7 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.5 x 10-6 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 8.0 x 10-6 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.9 x 10-7 mol/l | Uisce neamh -mhaolaithe pH 6.97; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 721.80 | ||
pka | 8.60 ± 0.40 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | 3.87 ± 0.20 | An luas is bunúsaí: 25 ° C. | (1) ACD |
.
Dlús
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.26 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 572.5 ± 7.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 15 | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
H Glacadóirí | 12 | (1) ACD | |
Hontóirí H. | 2 | (1) ACD | |
H suim deontóra/glacadóir | 14 | (1) ACD | |
logáil | 6.093 ± 0.720 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 721.80 |
.
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Achar dromchla polar | 137 A2 | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR
Cód | Ráiteas guaise | Aimsigh |
H335 | D’fhéadfadh sé a bheith ina chúis le greannú riospráide | Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach (ECHA) - Aicmiú agus Lipéadú Fógraithe - Fógraí is Coitianta, Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach - Aicmiú agus Lipéadú Fógraithe - Fógraí is tromchúisí |
H319 | Is cúis le greannú súl tromchúiseach | Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach (ECHA) - Aicmiú agus Lipéadú Fógraithe - Fógraí is Coitianta, Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach - Aicmiú agus Lipéadú Fógraithe - Fógraí is tromchúisí |
H315 | Is cúis le greannú craicinn | Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach (ECHA) - Aicmiú agus Lipéadú Fógraithe - Fógraí is Coitianta, Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach - Aicmiú agus Lipéadú Fógraithe - Fógraí is tromchúisí |