C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

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Detalye ng Produkto

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Detalye ng sangkap

CAS Registry Number

150780-67-9

H303

Pangunahing Pisikal na Katangian	Halaga	Kundisyon
Molekular na Timbang	869.94	-
pKa (Hula)	9.16±0.20	Pinakamaasim na Temp: 25 °C

Iba pang Pangalan at Identifier

N#CCCOP(OC1C(OC(N2C= NC=3C(=O))N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6)N(C(C)C)C(C)C

Isomeric SMILES

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)=O)N3)(C4=CC=C(OC) C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6

InChI

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(31-14-11-10-12-15-31,32-1 6-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/ m1/s1

Susi ng InChI

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Iba Pang Pangalan para sa Substansyang ito

Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidi] (9CI)

Eksperimental na Spectra

Available ang spectra
13 C NMR
Hetero NMR

Mga Hinulaang Katangian

Available ang mga property
Biyolohikal
Kemikal
Lipinski
Kaugnay na Istruktura

Biyolohikal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Salik ng Bioconcentration	183	pH 1; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	3890	pH 2; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	35500	pH 3; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.08 x 105	pH 4; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.36 x 105	pH 5; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.39 x 105	pH 6; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.38 x 105	pH 7; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.24 x 105	pH 8; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	63600	pH 9; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	11900	pH 10; Temp: 25 °C	(1) ACD

Kemikal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Sinabi ni Koc	220	pH 1; Temp: 25 °C	(1) ACD
Sinabi ni Koc	4680	pH 2; Temp: 25 °C	(1) ACD
Sinabi ni Koc	42600	pH 3; Temp: 25 °C	(1) ACD
Sinabi ni Koc	1.30 x 105	pH 4; Temp: 25 °C	(1) ACD
Sinabi ni Koc	1.63 x 105	pH 5; Temp: 25 °C	(1) ACD
Sinabi ni Koc	1.67 x 105	pH 6; Temp: 25 °C	(1) ACD
Sinabi ni Koc	1.65 x 105	pH 7; Temp: 25 °C	(1) ACD
Sinabi ni Koc	1.49 x 105	pH 8; Temp: 25 °C	(1) ACD

Ari-arian	Halaga	Kundisyon	Pinagmulan
Sinabi ni Koc	76400	pH 9; Temp: 25 °C	(1) ACD
Sinabi ni Koc	14200	pH 10; Temp: 25 °C	(1) ACD
talaD	4.19	pH 1; Temp: 25 °C	(1) ACD
talaD	5.52	pH 2; Temp: 25 °C	(1) ACD
talaD	6.48	pH 3; Temp: 25 °C	(1) ACD
talaD	6.96	pH 4; Temp: 25 °C	(1) ACD
talaD	7.06	pH 5; Temp: 25 °C	(1) ACD
talaD	7.07	pH 6; Temp: 25 °C	(1) ACD
talaD	7.07	pH 7; Temp: 25 °C	(1) ACD
talaD	7.02	pH 8; Temp: 25 °C	(1) ACD
talaD	6.73	pH 9; Temp: 25 °C	(1) ACD
talaD	6.00	pH 10; Temp: 25 °C	(1) ACD
logP	7.072±0.721	Temp: 25 °C	(1) ACD
Mass Intrinsic Solubility	1.2 x 10-4 g/L	Temp: 25 °C	(1) ACD
Mass Solubility	0.096 g/L	pH 1; Temp: 25 °C	(1) ACD
Mass Solubility	4.3 x 10-3 g/L	pH 2; Temp: 25 °C	(1) ACD
Mass Solubility	4.8 x 10-4 g/L	pH 3; Temp: 25 °C	(1) ACD
Mass Solubility	1.6 x 10-4 g/L	pH 4; Temp: 25 °C	(1) ACD
Mass Solubility	1.2 x 10-4 g/L	pH 5; Temp: 25 °C	(1) ACD
Mass Solubility	1.2 x 10-4 g/L	pH 6; Temp: 25 °C	(1) ACD
Mass Solubility	1.2 x 10-4 g/L	pH 7; Temp: 25 °C	(1) ACD
Mass Solubility	1.4 x 10-4 g/L	pH 8; Temp: 25 °C	(1) ACD
Mass Solubility	2.7 x 10-4 g/L	pH 9; Temp: 25 °C	(1) ACD
Mass Solubility	1.4 x 10-3 g/L	pH 10; Temp: 25 °C	(1) ACD
Mass Solubility	1.2 x 10-4 g/L	Unbuffered Water pH 7.00; Temp: 25 °C	(1) ACD
Molar Intrinsic Solubility	1.4 x 10-7 mol/L	Temp: 25 °C	(1) ACD
Molar Solubility	1.1 x 10-4 mol/L	pH 1; Temp: 25 °C	(1) ACD
Molar Solubility	5.0 x 10-6 mol/L	pH 2; Temp: 25 °C	(1) ACD
Molar Solubility	5.5 x 10-7 mol/L	pH 3; Temp: 25 °C	(1) ACD
Molar Solubility	1.8 x 10-7 mol/L	pH 4; Temp: 25 °C	(1) ACD
Molar Solubility	1.4 x 10-7 mol/L	pH 5; Temp: 25 °C	(1) ACD
Molar Solubility	1.4 x 10-7 mol/L	pH 6; Temp: 25 °C	(1) ACD

Ari-arian	Halaga	Kundisyon	Pinagmulan
Molar Solubility	1.4 x 10-7 mol/L	pH 7; Temp: 25 °C	(1) ACD
Molar Solubility	1.6 x 10-7 mol/L	pH 8; Temp: 25 °C	(1) ACD
Molar Solubility	3.1 x 10-7 mol/L	pH 9; Temp: 25 °C	(1) ACD
Molar Solubility	1.6 x 10-6 mol/L	pH 10; Temp: 25 °C	(1) ACD
Molar Solubility	1.4 x 10-7 mol/L	Unbuffered Water pH 7.00; Temp: 25 °C	(1) ACD
Molekular na Timbang	869.94
pKa	9.16±0.20	Pinakamaasim na Temp: 25 °C	(1) ACD
pKa	3.45±0.70	Karamihan sa Pangunahing Temp: 25 °C	(1) ACD

Lipinski

Ari-arian	Halaga	Kundisyon	Pinagmulan
Mga Malayang Naiikot na Bono	19		(1) ACD
H Mga Tatanggap	16		(1) ACD
H Mga Donor	2		(1) ACD
H Donor/Acceptor Sum	18		(1) ACD
logP	7.072±0.721	Temp: 25 °C	(1) ACD
Molekular na Timbang	869.94