C45H56N7O9P guanosine, 5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -o-methyl- n- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl N, n-bis (1-methylethyl) fosfaramidite] (aci) (aci).
Uimhir Chlárlann CAS
150780-67-9
H303
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 869.94 | - |
PKA (tuartha) | 9.16 ± 0.20 | An luas is aigéid: 25 ° C. |
N#CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) NC32) C1OC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C) N (C) C) C (C) C) C CC)
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) N2C3 = C (n = C2) C (= O) N = C (NC (C (C) C) N3) (C4 = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Orlach
Inchi = 1S/C45H56N7O9P/C1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9) 38 (61-62 (59-25-13-24--
46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-10-12-15-31,32-16-20-34 (55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33/H10-12,14-23, -30,36,38-39,43H, 13,25-26H2,1-9H3, (H2,48,49,50,53,54)/T36-, 38-, 39-, 43-, 62?/M1/S1
Eochair Inchi
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 ainm eile ar an tsubstaint seo
Guanosine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-N-(2-meitil-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (1-meitilethyl) phosphoramidite] (9CI)
Speictrim ar fáil
13 C NMR
Hetero NMR
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 183 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 3890 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 35500 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.08 x 105 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.36 x 105 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.39 x 105 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.38 x 105 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.24 x 105 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 63600 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 11900 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 220 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 4680 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 42600 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 1.30 x 105 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 1.63 x 105 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 1.67 x 105 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 1.65 x 105 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 1.49 x 105 | pH 8; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 76400 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 14200 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 5.52 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 6.48 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 6.96 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 7.06 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 7.07 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 7.07 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 7.02 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 6.73 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 6.00 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 7.072 ± 0.721 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 1.2 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 0.096 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.3 x 10-3 g/L. | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.8 x 10-4 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.6 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.2 x 10-4 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.2 x 10-4 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.2 x 10-4 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.4 x 10-4 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.7 x 10-4 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.4 x 10-3 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.2 x 10-4 g/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 1.4 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.1 x 10-4 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.0 x 10-6 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.5 x 10-7 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.8 x 10-7 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-7 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-7 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Tuaslagthacht molar | 1.4 x 10-7 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.6 x 10-7 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.1 x 10-7 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.6 x 10-6 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-7 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 869.94 | ||
pka | 9.16 ± 0.20 | 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 | 19 | (1) ACD | |
H Glacadóirí | 16 | (1) ACD | |
Hontóirí H. | 2 | (1) ACD | |
H suim deontóra/glacadóir | 18 | (1) ACD | |
logáil | 7.072 ± 0.721 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 869.94 |
.
Maoin | Luach | Foinse choinníll |
Achar dromchla polar | 194 A2 | (1) ACD |
.
Speictrim ar fáil
1 H NMR
13 C NMR
Cód | Ráiteas guaise | Aimsigh |
H303 | Féadfaidh sé a bheith dochrach má shlogtar é | Saineolaí coimeádaithe |