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)
Nọmba ndekọ CAS
150780-67-9
H303
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 869.94 | - |
pKa (buru amụma) | 9.16±0.20 | Okpomọkụ kachasị acidic: 25 Celsius |
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) 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
Igodo InChi
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Aha ọzọ maka ihe a
Guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-N(2-methyl-1-oxopropyl) -, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Spectra dị
13C NMR
Hetero NMR
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 183 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3890 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 35500 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.08 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.36 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.39 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.38 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.24 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 63600 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 11900 | 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 | 220 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4680 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 42600 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.30 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.63 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1,67 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.65 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1,49 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 76400 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 14200 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.19 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 5.52 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.48 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.96 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.06 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.07 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.07 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.02 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.73 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.00 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logP | 7.072± 0.721 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 1.2 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 0.096 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 4.3 x 10-3 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 4.8 x 10-4 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.6 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.2 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.2 x 10-4 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.2 x 10-4 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.4 x 10-4 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.7 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.4 x 10-3 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.2 x 10-4 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 1.4 x 10-7 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.1 x 10-4 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.0 x 10-6 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.5 x 10-7 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.8 x 10-7 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Solubility Molar | 1.4 x 10-7 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.6 x 10-7 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.1 x 10-7 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.6 x 10-6 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol / l | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 869.94 | ||
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 | 19 | (1) ACD | |
H Ndị nnabata | 16 | (1) ACD | |
H Ndị na-enye onyinye | 2 | (1) ACD | |
H Donor/Anabata Nchikota | 18 | (1) ACD | |
logP | 7.072± 0.721 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 869.94 |
(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 | 194 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
Koodu | Nkwupụta egwu | Isi mmalite |
H303 | Nwere ike imerụ ahụ ma iloro ya | Achọpụtara ọkachamara |