![C36H39N5O8 Guanosin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metil- N-(2-metil-1-oksopropil)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metil- N-(2-metil-1-oksopropil)- (9CI, ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metil- N-(2-metil-1-oksopropil)- (9CI, ACI)
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 669.72 | - |
| Kepadatan (Diprediksi) | 1,35±0,1 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr |
| pKa (Diprediksi) | 9,16±0,20 | Suhu Paling Asam: 25 °C |
SENYUM Kanonik 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
SENYUM Isomer
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
Di ChI
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 Nama Lain untuk Zat ini
5′-O-[Bis(4-metoksifenil)fenilmetil]-2′-O-metil-N-(2-metil-1-oksopropil)guanosin (ACI)
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait Struktur |
Biologis
| Milik | Nilai | Kondisi | 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) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Milik | Nilai | Kondisi | 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 |
| Milik | Nilai | Kondisi | 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 | 3,7x10-4g/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 | Air Tanpa Buffer 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 |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 4,6 x 10-7 mol/L | Air Tanpa Buffer pH 6,99; Suhu: 25 °C | (1) ACD |
| Berat 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) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,35±0,1 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
| Volume Molar | 494,4±7,0 cm3/mol | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara 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 |
| Berat Molekul | 669.72 |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Terkait Struktur
| Milik | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 155A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 jam NMR
13C NMR
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