C47H60N7O10P Guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2- methoxyethyl) -N- (2-methyl-1-oxopropyl) –, 3′- [2-cyanoethyl N , N-bis (1-methylethyl) phosphoramidite] (ACI)

ọja

C47H60N7O10P Guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2- methoxyethyl) -N- (2-methyl-1-oxopropyl) –, 3′- [2-cyanoethyl N , N-bis (1-methylethyl) phosphoramidite] (ACI)

Alaye ipilẹ:


Alaye ọja

ọja Tags

Awọn alaye nkan elo

Nọmba iforukọsilẹ CAS

251647-55-9

H302

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 914.00 -
pKa (Asọtẹlẹ) 9.16 ± 0.20 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

Ẹ̀RẸ̀ KẸ̀LẸ̀

N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)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](OCCOC)[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/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-) 26-57-7)40(64-65(62-25-13-24-48)54(31(3)4)32(5)6)38(63-45)28-61-47(33-) 14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10- 12,14-23,29-32,38,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41- ,45-,65?/m1/s1

InChi Key

LADCDGNEBIQAAU-SBCRAQIVSA-N

17 Awọn orukọ miiran fun nkan yii

Guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl)N(2-methyl-1-oxopropyl) -, 3 '- [2-cyanoethyl bis (1- methylethyl) phosphoramite] (9CI);17: PN: US20030212017 EWE: 20 ti a beere ọkọọkan;18: PN: US20030211606 EWE: 20

so ọkọọkan;19: PN: US20040005569 OJU: 22 ti o ni ẹtọ;21: PN: US20040006030 EWE: 23 ti a beere ọkọọkan;21: PN: US20040014047 EWE: 21 ti a beere ọkọọkan;21: PN: US20040014049 EWE: 21 ti a beere ọkọọkan;22: PN: US20030198965 PAG

E: 20 ti a beere ọkọọkan;22: PN: US20040005570 EWE: 21 ti a beere ọkọọkan;22: PN: US20040014048 OJU: 21 ti a beere ọkọọkan;

22: PN: US20040014050 EWE: 21 ti a beere ọkọọkan;23: PN: US20040005565 EWE: 17- 22 ti a beere ọkọọkan;23: PN: US20040

014051 EWE: 23 so ọkọọkan;24: PN: US20040014699 EWE: 21 ti a beere ọkọọkan;25: PN: US20040006029 EWE: 23 ti a beere ọkọọkan;25: PN: WO03106645 EWE: 73 so lesese;96: PN: US20040005707 EWE: 21 ti a beere ọkọọkan

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 121 pH 1;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2580 pH 2;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 23500 pH 3;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 71800 pH 4;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 89800 pH 5;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 92100 pH 6;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 91300 pH 7;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 82500 pH 8;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 42200 pH 9;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 7860 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 164 pH 1;Iwọn otutu: 25 °C (1) ACD
Koc 3480 pH 2;Iwọn otutu: 25 °C (1) ACD
Koc 31700 pH 3;Iwọn otutu: 25 °C (1) ACD
Koc 96900 pH 4;Iwọn otutu: 25 °C (1) ACD
Koc 1.21 x 105 pH 5;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Koc 1,24 x 105 pH 6;Iwọn otutu: 25 °C (1) ACD
Koc 1.23 x 105 pH 7;Iwọn otutu: 25 °C (1) ACD
Koc 1.11 x 105 pH 8;Iwọn otutu: 25 °C (1) ACD
Koc 56900 pH 9;Iwọn otutu: 25 °C (1) ACD
Koc 10600 pH 10;Iwọn otutu: 25 °C (1) ACD
logD 3.95 pH 1;Iwọn otutu: 25 °C (1) ACD
logD 5.28 pH 2;Iwọn otutu: 25 °C (1) ACD
logD 6.24 pH 3;Iwọn otutu: 25 °C (1) ACD
logD 6.73 pH 4;Iwọn otutu: 25 °C (1) ACD
logD 6.82 pH 5;Iwọn otutu: 25 °C (1) ACD
logD 6.83 pH 6;Iwọn otutu: 25 °C (1) ACD
logD 6.83 pH 7;Iwọn otutu: 25 °C (1) ACD
logD 6.79 pH 8;Iwọn otutu: 25 °C (1) ACD
logD 6.50 pH 9;Iwọn otutu: 25 °C (1) ACD
logD 5.77 pH 10;Iwọn otutu: 25 °C (1) ACD
logP 6.837 ± 0.764 Iwọn otutu: 25 °C (1) ACD
Ibi Isoju Agbekale 4,4 x 10-4 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.34 g/L pH 1;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.016 g/L pH 2;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,7 x 10-3 g/L pH 3;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.7 x 10-4 g/L pH 4;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4,6 x 10-4 g/L pH 5;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4,4 x 10-4 g/L pH 6;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4,5 x 10-4 g/L pH 7;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4.9 x 10-4 g/L pH 8;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1.0 x 10-3 g/L pH 9;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.2 x 10-3 g/L pH 10;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4,5 x 10-4 g/L Omi ti ko ni ipamọ pH 6.99;Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 4.8 x 10-7 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 3.7 x 10-4 mol/L pH 1;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,7 x 10-5 mol / L pH 2;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1.9 x 10-6 mol/L pH 3;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Solubility Molar 6.2 x 10-7 mol/L pH 4;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.0 x 10-7 mol / L pH 5;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 4.8 x 10-7 mol/L pH 6;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 4.9 x 10-7 mol/L pH 7;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.4 x 10-7 mol/L pH 8;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1.1 x 10-6 mol/L pH 9;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.7 x 10-6 mol/L pH 10;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 4.9 x 10-7 mol/L Omi ti ko ni ipamọ pH 6.99;Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 914.00    
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 22   (1) ACD
H Awọn olugba 17   (1) ACD
H Awọn oluranlọwọ 2   (1) ACD
H Oluranlọwọ / Olugba Apapọ 19   (1) ACD
logP 6.837 ± 0.764 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 914.00    

(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 203 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

Orisun Gbólóhùn Ewu koodu
H302 Ipalara ti o ba gbe Ile-iṣẹ Kemikali ti Yuroopu (ECHA) Isọdi& Aami aami

Oja - Isọdi iwifunni ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali Yuroopu (ECHA)

Isọsọ-sọtọ&Oja Ifipamọ - Isọdi ti iwifunni ati isamisi - awọn iwifunni to ṣe pataki julọ


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