![C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-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-methyl-1-oxopropyl)- (9CI, ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 669.72 | - |
| Kapadhetan (Prediksi) | 1,35±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 9.16±0.20 | Suhu Paling Asam: 25 °C |
SMILES 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
IngChI
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
Kunci Inchi
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Jeneng Liyane kanggo Zat iki
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI)
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
biologi
| Properti | Nilai | kahanan | 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) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | 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 |
| Properti | Nilai | kahanan | 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 |
| Kelarutan Intrinsik Massa | 3,1 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 9,4 x 10-4 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,7 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,1 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,1 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,1 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,1 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,1 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,5 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 7,4 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,9 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,1 x 10-4 g/L | Banyu Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 4,6 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,4 x 10-6 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,5 x 10-7 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,7 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,6 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,6 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,6 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,6 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,2 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,1 x 10-6 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,8 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 4,6 x 10-7 mol/L | Banyu Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 669.72 | ||
| pKa | 9.16±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,35±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 494,4±7,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 12 | (1) ACD | |
| H. Akseptor | 13 | (1) ACD | |
| H. Donor | 3 | (1) ACD | |
| H Jumlah Donor / Akseptor | 16 | (1) ACD | |
| logP | 4,763±0,722 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 669.72 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 155 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
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