C41H51N5O8Si Guanosine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl) - (9CI, ACI). )
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 769.96 | - |
Njupụta (buru amụma) | 1.25±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
pKa (buru amụma) | 9.16±0.20 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C
Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)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/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39 42-24-46(35)38-34(54-55(8,9)40(3,4)5)33(47)31(53-38)23-52-41(2) 6-13-11-10-12-14-26,27-15-19-29(50-6)20-16-27)28-17-21-30(51-7) )22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1-9H3,(H2,43,44,45,
48,49)/t31-,33-,34-,38-/m1/s1
Igodo InChi
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Aha ọzọ maka ihe a
5'-O-[Bis (4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]-N- (2-methyl-1-oxopropyl) guanosine (ACI)
Spectra dị
1H NMR
13C NMR
Mass
Ngwongwo dị |
Usoro ndu |
Chemical |
Njupụta |
Lipinski |
Ọdịdị metụtara |
Usoro ndu
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 1,38 x 105 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3,53 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 4.18 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 4,26 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 4,26 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 4,26 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 4.21 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 3,77 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1,86 x 105 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 33800 | 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)
Chemical
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 1.21 x 105 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3.08 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3.65 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3,72 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3,73 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3,72 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3,68 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 3.30 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.62 x 105 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 29600 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.22 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.63 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.70 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.71 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.71 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.71 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.70 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.66 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 7.35 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.61 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logP | 7.710± 0.709 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 2.7 x 10-5 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 8.5 x 10-5 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.3 x 10-5 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.8 x 10-5 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.7 x 10-5 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.7 x 10-5 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.7 x 10-5 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.8 x 10-5 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 x 10-5 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 6.2 x 10-5 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.8 x 10-5 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 3.5 x 10-8 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.1 x 10-7 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.3 x 10-8 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.6 x 10-8 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.5 x 10-8 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.5 x 10-8 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Solubility Molar | 3.5 x 10-8 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.6 x 10-8 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.0 x 10-8 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 8.1 x 10-8 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.5 x 10-7 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.6 x 10-8 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 769.96 | ||
pKa | 9.16±0.20 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
pKa | 1.73± 0.10 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Njupụta | 1.25±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
Olu Molar | 615.5± 7.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Nkwekọrịta na-agbanwe agbanwe n'efu | 14 | (1) ACD | |
H Ndị nnabata | 13 | (1) ACD | |
H Ndị na-enye onyinye | 3 | (1) ACD | |
H Donor/Anabata Nchikota | 16 | (1) ACD | |
logP | 7.710± 0.709 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 769.96 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Mpaghara elu elu | 155 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