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).

toradh

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).

Faisnéis bhunúsach:


Sonraí Táirgí

Clibeanna Táirgí

Mionsonraí substainte

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.

Ainmneacha agus aitheantóirí eile

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)

Speictream turgnamhach

Speictrim ar fáil
13 C NMR
Hetero NMR

Airíonna tuartha

Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr

Bitheolaíoch

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

.

Ceimiceán

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

.

Lipinski

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    

.

A bhaineann le struchtúr

Maoin Luach Foinse choinníll
Achar dromchla polar 194 A2 (1) ACD

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Speictrim tuartha

Speictrim ar fáil
1 H NMR
13 C NMR

Ráitis Ghuaise GHS

Cód Ráiteas guaise Aimsigh
H303 Féadfaidh sé a bheith dochrach má shlogtar é Saineolaí coimeádaithe

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