C30H30N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl]-(9ci, ACI)
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 546.57 | - |
Leáphointe (turgnamhach) | 111-112 ° C. | Tuaslagóir: aicéatáit eitile |
Dlús (tuartha) | 1.343 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. |
Smiles Canónach O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2O C2O
Smiles isiméireacha C (OC [C@H] 1o [C@H] ([C@H] (O) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = CC = C5)
Orlach
Inchi = 1S/C30H30N2O8/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27 (35) 28 (40-24) 32- 32-
17-16-25 (33) 31-29 (32) 36/H3-17,24,26-28,34-35H, 18H2,1-2H3, (H, 31,33,36)/T24-, 26-, 27-, 28-/M1/S1
Eochair Inchi
Pcfsnqyxxacuhm-yuloidqlsa-n
4 Ainm eile don tsubstaint seo
5'-o-o-[bis (4-methoxyphenyl) phenylmethyl] fual (ACI); Uridine, 5′-o-[α, α-bis (p-methoxyphenyl) beinsyl]-(7ci); 5′-DIMETHOXYTRITYL fual; 5'-o-o-(4,4′-DIMETHOXYTRITYL) fual
Airíonna atá ar fáil |
Teirmeach |
Teirmeach
Maoin | Luach | Coinníollacha a chur le | Aimsigh | |
Leáphointe | 122-123 ° C. | (1) CAS | ||
Leáphointe | 111-112 ° C. | Tuaslagóir: | Aicéatáit eitile | (2) CAS |
Leáphointe | Féach an téacs iomlán | (3) CAS |
(1) Zekri, Negar; Bullaitín Chumann Ceimiceach na hAetóipe, (2010), 24 (2), 299-304, Caplus
(2) Patil, Premanand Ramrao; Journal of Carbaihiodráit Cheimic, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-Nezhad, Ali; Litreacha Tetrahedron, (2004), 45 (36), 6737-6739, Caplus
Speictrim ar fáil
1H NMR
13c NMR
Mir
Airíonna atá ar fáil |
Bitheolaíoch |
Ceimiceán |
Dlús |
Lipinski |
A bhaineann le struchtúr |
Bitheolaíoch
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 904 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 904 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 904 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 904 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 904 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 904 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 900 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 861 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 602 | pH 9; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 156 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 4550 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 4550 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 4550 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 4550 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 4550 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 4540 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 4520 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 4330 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 3030 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 785 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 4.17 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 4.02 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 3.43 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.192 ± 0.628 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 3.2 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.2 x 10-4 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.2 x 10-4 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.2 x 10-4 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.2 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.2 x 10-4 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.2 x 10-4 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.2 x 10-4 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Aifreann tuaslagthachta | 3.3 x 10-4 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.8 x 10-4 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.9 x 10-3 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.2 x 10-4 g/l | Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 5.8 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.8 x 10-7 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.8 x 10-7 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.8 x 10-7 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.8 x 10-7 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.8 x 10-7 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.8 x 10-7 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.8 x 10-7 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.1 x 10-7 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 8.7 x 10-7 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.4 x 10-6 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.8 x 10-7 mol/l | Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 546.57 | ||
pka | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. | (1) ACD |
.
Dlús
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.343 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 406.9 ± 3.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 11 | (1) ACD | |
H Glacadóirí | 10 | (1) ACD | |
Hontóirí H. | 3 | (1) ACD | |
H suim deontóra/glacadóir | 13 | (1) ACD | |
logáil | 4.192 ± 0.628 | TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Meáchan móilíneach | 546.57 |
.
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Achar dromchla polar | 127 A2 | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR