C40H49N4O9P fual, 5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -o-meitil-, 3 ′-[2-cyanoethyl N, N-bis (1-meitilethyl) phosphoramidite] (ACI)
Uimhir Chlárlann CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le | |
Meáchan móilíneach | 760.81 | - | |
PKA (tuartha) | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. |
Smiles Canónach
N#CCCOP (OC1C (OC (N2C = CC (= O) NC2 = O) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C (C) C
Smiles isiméireach
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OC) [C @@ H] (O1) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) C = C3) C = CC = CC = CC = CC = CC = CC = CC = C = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c (
Orlach
Inchi = 1S/C40H49N4O9P/C1-27 (2) 44 (28 (3) 4) 54 (51-25-11-23-41) 53-36-34 (52-38 (37 (36) 49-7) 43-24-22-35 (45) 42-39 (43) 46) 26-5-4-40 (295 (45) 42-39 (43) 46) 2-9-8-10-13-29,30-14-18-32 (47-5) 19-15-30) 31-16-20-33 (48-6) 21-17-31/H8-10,12-22,24,27-28,34,36-38H, 11,25-26H2,1-7H3,
(H, 42,45,46)/T34-, 36-, 37-, 38-, 54?/M1/S1
Eochair Inchi
Uvuojolpndcihl-xkzjcbtisa-n
1 ainm eile ar an tsubstaint seo
Uridine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-Methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Speictrim ar fáil
Mir
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 254 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2050 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 15400 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 46000 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 57500 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 58900 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 58900 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 56800 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 42300 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 12200 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 389 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 3140 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 23600 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 70500 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 88100 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 90300 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 90200 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 87100 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 64800 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 18700 | pH 10; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
logáil | 4.21 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 5.12 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 6.00 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 6.47 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 6.57 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 6.58 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 6.58 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 6.56 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 6.44 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 5.90 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 6.581 ± 0.646 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 8.4 x 10-5 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 0.019 g/L. | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.4 x 10-3 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 x 10-4 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.1 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 8.4 x 10-5 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 8.4 x 10-5 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 8.4 x 10-5 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 8.4 x 10-5 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.1 x 10-4 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.0 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 8.4 x 10-5 g/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 1.1 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.5 x 10-5 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.1 x 10-6 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 4.1 x 10-7 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-7 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.1 x 10-7 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.1 x 10-7 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.1 x 10-7 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.1 x 10-7 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Tuaslagthacht molar | 1.5 x 10-7 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.2 x 10-7 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.1 x 10-7 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 760.81 | ||
pka | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | 3.45 ± 0.70 | An luas is bunúsaí: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 18 | (1) ACD | |
H Glacadóirí | 13 | (1) ACD | |
Hontóirí H. | 1 | (1) ACD | |
H suim deontóra/glacadóir | 14 | (1) ACD | |
logáil | 6.581 ± 0.646 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 760.81 |
.
Maoin | Luach | Foinse choinníll |
Achar dromchla polar | 155 A2 | (1) ACD |
.
Speictrim ar fáil
1 H NMR
13 C NMR
Cód | Ráiteas guaise | Aimsigh |
H335 | D’fhéadfadh sé a bheith ina chúis le greannú riospráide | Saineolaí coimeádaithe |
H331 | Tocsaineach má ionanálaítear é | Saineolaí coimeádaithe |
H319 | Is cúis le greannú súl tromchúiseach | Saineolaí coimeádaithe |
H315 | Is cúis le greannú craicinn | Saineolaí coimeádaithe |
Cód | Ráiteas guaise | Aimsigh |
H311 | Tocsaineach i dteagmháil leis an gcraiceann | Saineolaí coimeádaithe |
H301+H311+H331 | Tocsaineach má shlogtar é, i dteagmháil leis an gcraiceann nó le hionanálú | Saineolaí coimeádaithe |
H301 | Tocsaineach má shlogtar é | Saineolaí coimeádaithe |