![C36H39N5O8 Guanosin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-métil-1-oxopropyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-métil-1-oxopropyl)- (9CI, ACI) Feature Gambar](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-métil-1-oxopropyl)- (9CI, ACI)
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 669.72 | - |
| Kapadetan (diprediksi) | 1,35±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 9.16±0.20 | Suhu Paling Asam: 25 °C |
Seuri Canonical 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
Isomerik SMILES
C(OC[C@H]1O[C@H]([C@H](OC)[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/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
InChI Key
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Ngaran séjén pikeun Zat ieu
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI)
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 797 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2030 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2400 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2450 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2450 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2450 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2420 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2170 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1070 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 195 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | kaayaan | Sumber |
| Koc | 3020 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 7680 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 9100 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 9270 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 9290 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 9280 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 9170 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 8220 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 4050 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 737 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 4.27 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 4.68 | pH 2; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| logD | 4.75 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 4.76 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 4.76 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 4.76 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 4.76 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 4.71 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 4.40 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 4.763±0.722 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 3,1 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 9,4 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,7 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,1 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,1 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,1 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,1 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,1 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 7,4 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,9 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,1 x 10-4 g/L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 4,6 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-6 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,5 x 10-7 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,7 x 10-7 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,6 x 10-7 mol / L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,6 x 10-7 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,6 x 10-7 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,6 x 10-7 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,2 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-6 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,8 x 10-6 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 4,6 x 10-7 mol / L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 669.72 | ||
| pKa | 9.16±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Suhu Dasar: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kapadetan
| Harta | Nilai | kaayaan | Sumber |
| Kapadetan | 1,35±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 494,4±7,0 cm3/mol | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 12 | (1) ACD | |
| H Akséptor | 13 | (1) ACD | |
| H Donor | 3 | (1) ACD | |
| H Donor / Akséptor Jumlah | 16 | (1) ACD | |
| logP | 4.763±0.722 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 669.72 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Wewengkon Permukaan Polar | 155 A2 | (1) ACD | |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1H NMR
13C NMR
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