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

ọja

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

Alaye ipilẹ:


Alaye ọja

ọja Tags

Awọn alaye nkan elo

Nọmba iforukọsilẹ CAS

150780-67-9

H303

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 869.94 -
pKa (Asọtẹlẹ) 9.16 ± 0.20 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

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 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

InChi Key

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Oruko miiran fun Ohun elo yii

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

Sipekitira esiperimenta

Spectra wa
13 C NMR
Hetero NMR

Awọn ohun-ini asọtẹlẹ

Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ

Ti ibi

Ohun ini Iye Ipo Orisun
Bioconcentration ifosiwewe 183 pH 1; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 3890 pH 2; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 35500 pH 3; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.08 x 105 pH 4; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,36 x 105 pH 5; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.39 x 105 pH 6; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,38 x 105 pH 7; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,24 x 105 pH 8; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 63600 pH 9; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 11900 pH 10; Iwọn otutu: 25 °C (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kemikali

Ohun ini Iye Ipo Orisun
Koc 220 pH 1; Iwọn otutu: 25 °C (1) ACD
Koc 4680 pH 2; Iwọn otutu: 25 °C (1) ACD
Koc 42600 pH 3; Iwọn otutu: 25 °C (1) ACD
Koc 1.30 x 105 pH 4; Iwọn otutu: 25 °C (1) ACD
Koc 1,63 x 105 pH 5; Iwọn otutu: 25 °C (1) ACD
Koc 1,67 x 105 pH 6; Iwọn otutu: 25 °C (1) ACD
Koc 1,65 x 105 pH 7; Iwọn otutu: 25 °C (1) ACD
Koc 1,49 x 105 pH 8; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Koc 76400 pH 9; Iwọn otutu: 25 °C (1) ACD
Koc 14200 pH 10; Iwọn otutu: 25 °C (1) ACD
logD 4.19 pH 1; Iwọn otutu: 25 °C (1) ACD
logD 5.52 pH 2; Iwọn otutu: 25 °C (1) ACD
logD 6.48 pH 3; Iwọn otutu: 25 °C (1) ACD
logD 6.96 pH 4; Iwọn otutu: 25 °C (1) ACD
logD 7.06 pH 5; Iwọn otutu: 25 °C (1) ACD
logD 7.07 pH 6; Iwọn otutu: 25 °C (1) ACD
logD 7.07 pH 7; Iwọn otutu: 25 °C (1) ACD
logD 7.02 pH 8; Iwọn otutu: 25 °C (1) ACD
logD 6.73 pH 9; Iwọn otutu: 25 °C (1) ACD
logD 6.00 pH 10; Iwọn otutu: 25 °C (1) ACD
logP 7.072 ± 0.721 Iwọn otutu: 25 °C (1) ACD
Ibi Isolubu Agbekale 1,2 x 10-4 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.096 g/L pH 1; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.3 x 10-3 g/L pH 2; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4,8 x 10-4 g/L pH 3; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,6 x 10-4 g/L pH 4; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,2 x 10-4 g/L pH 5; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,2 x 10-4 g/L pH 6; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,2 x 10-4 g/L pH 7; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,4 x 10-4 g/L pH 8; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2,7 x 10-4 g/L pH 9; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,4 x 10-3 g/L pH 10; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,2 x 10-4 g/L Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 1,4 x 10-7 mol / L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1.1 x 10-4 mol/L pH 1; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.0 x 10-6 mol/L pH 2; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.5 x 10-7 mol/L pH 3; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,8 x 10-7 mol/L pH 4; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,4 x 10-7 mol / L pH 5; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,4 x 10-7 mol / L pH 6; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Solubility Molar 1,4 x 10-7 mol / L pH 7; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,6 x 10-7 mol/L pH 8; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 3.1 x 10-7 mol/L pH 9; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,6 x 10-6 mol/L pH 10; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,4 x 10-7 mol / L Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 869.94    
pKa 9.16 ± 0.20 Pupọ Epo otutu: 25 °C (1) ACD
pKa 3,45 ± 0,70 Pupọ Ipilẹ otutu: 25 °C (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ohun ini Iye Ipo Orisun
Larọwọto Rotatable Bonds 19   (1) ACD
H Awọn olugba 16   (1) ACD
H Awọn oluranlọwọ 2   (1) ACD
H Oluranlọwọ / Olugba Apapọ 18   (1) ACD
logP 7.072 ± 0.721 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 869.94    

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ilana Jẹmọ

Ohun ini Iye Orisun ipo
Pola dada Area 194 A2 (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra asọtẹlẹ

Spectra wa
1 H NMR
13 C NMR

GHS Ewu Gbólóhùn

Koodu Gbólóhùn ewu Orisun
H303 Le jẹ ipalara ti o ba gbe mì Amoye Curated

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