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)
Nọmba ndekọ CAS
251647-55-9
H302
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 914.00 | - |
pKa (buru amụma) | 9.16±0.20 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
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
Igodo InChi
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Aha ndị ọzọ maka ihe a
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 PEEJI: 20 kwuru usoro; 18: PN: US20030211606 PEEJI: 20
na-ekwu usoro; 19: PN: US20040005569 PEEJI: 22 kwuru usoro; 21: PN: US20040006030 PEEJI: 23 kwuru usoro; 21: PN: US20040014047 PEEJI: 21 kwuru usoro; 21: PN: US20040014049 PEEJI: 21 kwuru usoro; 22: PN: US20030198965 PAG
E: 20 kwuru usoro; 22: PN: US20040005570 PEEJI: 21 kwuru usoro; 22: PN: US20040014048 PEEJI: 21 kwuru usoro;
22: PN: US20040014050 PEEJI: 21 kwuru usoro; 23: PN: US20040005565 PEEJI: 17- 22 kwuru usoro; 23: PN: US20040
014051 PEEJI: 23 kwuru usoro; 24: PN: US20040014699 PEEJI: 21 kwuru usoro; 25: PN: US20040006029 PEEJI: 23 kwuru usoro; 25: PN: WO03106645 PEEJI: 73 kwuru usoro; 96: PN: US20040005707 PEEJI: 21 kwuru usoro
Spectra dị
13C NMR
Hetero NMR
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 121 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2580 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 23500 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 71800 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 89800 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 92100 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 91300 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 82500 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 42200 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 7860 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 164 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3480 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 31700 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 96900 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 1.24 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 56900 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 10600 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 3.95 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 5.28 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.24 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.73 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.82 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.83 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.83 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.79 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.50 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 5.77 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logP | 6.837± 0.764 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 4.4 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 0.34 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 0.016 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.7 x 10-3 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 5.7 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 4.6 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 4.4 x 10-4 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 4.5 x 10-4 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 4.9 x 10-4 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.0 x 10-3 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 5.2 x 10-3 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 4.5 x 10-4 g/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 4.8 x 10-7 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.7 x 10-4 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.7 x 10-5 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.9 x 10-6 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Solubility Molar | 6.2 x 10-7 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.0 x 10-7 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.8 x 10-7 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.9 x 10-7 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.4 x 10-7 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.1 x 10-6 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.7 x 10-6 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.9 x 10-7 mol/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 914.00 | ||
pKa | 9.16±0.20 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
pKa | 3.45± 0.70 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Nkwekọrịta na-agbanwe agbanwe n'efu | 22 | (1) ACD | |
H Ndị nnabata | 17 | (1) ACD | |
H Ndị na-enye onyinye | 2 | (1) ACD | |
H Donor/Anabata Nchikota | 19 | (1) ACD | |
logP | 6.837± 0.764 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 914.00 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Isi mmalite ọnọdụ |
Mpaghara elu elu | 203 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
Isi mmalite nkwupụta egwu koodu | |
H302 na-emerụ ma ọ bụrụ na iloro ya | European Chemical Agency (ECHA) nhazi ọkwa na akara aha Ndepụta Ngwaahịa - Nhazi ọkwa na ntinye aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&Ngwakọta aha - Nhazi ọkwa na ntinye aha - ọkwa kacha njọ |