C36H39N5O8 Guanosine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-methyl- N- (2-methyl-1-oxopropyl) - (9CI, ACI)
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 669.72 | - |
Njupụta (buru amụma) | 1.35±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)C3OC
Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O C(C)C=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC
=CC=C6
InChi
InChi=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5) 29 (42)27 (49-34)19-48-36 (22-9-7-6-8-10-2 2,23-11-15-25(45-3)16-12-23)24 -13-17-26(46-4)18-14-24/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40, 43,44)/t27-,29-,30-,34
-/m1/s1
Igodo InChi
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Aha ọzọ maka ihe a
5′-O-[Bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-N- (2-methyl-1-oxopropyl) guanosine (ACI)
Ngwongwo dị |
Usoro ndu |
Chemical |
Njupụta |
Lipinski |
Ọdịdị metụtara |
Usoro ndu
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 797 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2030 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2400 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2450 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2450 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2450 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2420 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2170 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1070 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 195 | 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 | 3020 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 7680 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 9100 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 9270 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 9290 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 9280 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 9170 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 8220 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4050 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 737 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.27 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.68 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
logD | 4.75 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.76 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.76 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.76 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.76 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.71 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.40 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 3.66 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logP | 4.763± 0.722 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 3.1 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 9.4 x 10-4 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.7 x 10-4 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 x 10-4 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 x 10-4 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 x 10-4 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.5 x 10-4 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 7.4 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.9 x 10-3 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 x 10-4 g/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 4.6 x 10-7 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 1.4 x 10-6 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.5 x 10-7 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.7 x 10-7 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.6 x 10-7 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.6 x 10-7 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.6 x 10-7 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 4.6 x 10-7 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.2 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 | 5.8 x 10-6 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Solubility Molar | 4.6 x 10-7 mol/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 669.72 | ||
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 | 1.35±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
Olu Molar | 494.4± 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 | 12 | (1) ACD | |
H Ndị nnabata | 13 | (1) ACD | |
H Ndị na-enye onyinye | 3 | (1) ACD | |
H Donor/Anabata Nchikota | 16 | (1) ACD | |
logP | 4.763± 0.722 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 669.72 |
(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