![C31H30N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pirimidin-6-satu, 2-[[bis(4-metoksi fenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahydro-3-hydroxy-7- metil-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pirimidin-6-satu, 2-[[bis(4-metoksi fenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahydro-3-hydroxy-7- metil-, (2R,3R,3aS,9aR)- (9CI, ACI) Imej Pilihan](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pirimidin-6-satu, 2-[[bis(4-metoksi fenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahydro-3-hydroxy-7- metil-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 542.58 | - |
| Takat Didih (Diramalkan) | 692.9±65.0 °C | Akhbar: 760 Torr |
| Ketumpatan (Diramalkan) | 1.33±0.1 g/cm3 | Suhu: 20 °C;Akhbar: 760 Torr |
| pKa (Diramalkan) | 12.51±0.60 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical O=C1N=C2OC3C(O)C(OC3N2C=C1C)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
SENYUMAN Isomerik C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=C(C)C(=O)N3)[H] )[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26(34)25(39-29)18-38-31(20- 7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1 /s1
Kunci InChI
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Nama Lain untuk Bahan ini
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′, 3′:4,5]oxazolo [3,2-a]pirimidin-6-satu (ACI)
Spectra tersedia
1H NMR
13C NMR
Mass
| Hartanah tersedia |
| Biologi |
| bahan kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
| terma |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 2800 | pH 1;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2800 | pH 2;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2800 | pH 3;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2800 | pH 4;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2800 | pH 5;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2800 | pH 6;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2800 | pH 7;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2800 | pH 8;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2800 | pH 9;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2790 | pH 10;Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
bahan kimia
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 10200 | pH 1;Suhu: 25 °C | (1) ACD |
| Koc | 10200 | pH 2;Suhu: 25 °C | (1) ACD |
| Koc | 10200 | pH 3;Suhu: 25 °C | (1) ACD |
| Koc | 10200 | pH 4;Suhu: 25 °C | (1) ACD |
| Koc | 10200 | pH 5;Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 10200 | pH 6;Suhu: 25 °C | (1) ACD |
| Koc | 10200 | pH 7;Suhu: 25 °C | (1) ACD |
| Koc | 10200 | pH 8;Suhu: 25 °C | (1) ACD |
| Koc | 10200 | pH 9;Suhu: 25 °C | (1) ACD |
| Koc | 10200 | pH 10;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 1;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 2;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 3;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 4;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 5;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 6;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 7;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 8;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 9;Suhu: 25 °C | (1) ACD |
| logD | 4.84 | pH 10;Suhu: 25 °C | (1) ACD |
| logP | 4.839±0.618 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 3.6 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-4 g/L | Air Tidak Penampan pH 7.00;Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 6.6 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 1;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 2;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 3;Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 4;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 5;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 6;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 7;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 8;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | pH 9;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.7 x 10-7 mol/L | pH 10;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.6 x 10-7 mol/L | Air Tidak Penampan pH 7.00;Suhu: 25 °C | (1) ACD |
| Berat Molekul | 542.58 | ||
| pKa | 12.51±0.60 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | -4.38±0.60 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan wap | 3.73 x 10-20 Torr | Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta benda | Nilai | keadaan | Sumber |
| Ketumpatan | 1.33±0.1 g/cm3 | Suhu: 20 °C;Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 404.9±7.0 cm3/mol | Suhu: 20 °C;Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 9 | (1) ACD | |
| H Penerima | 9 | (1) ACD | |
| H Penderma | 1 | (1) ACD | |
| H Jumlah Penderma/Penerima | 10 | (1) ACD | |
| logP | 4.839±0.618 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 542.58 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Kawasan Permukaan Kutub | 99.1 A2 | (1) ACD | |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
terma
| Harta benda | Nilai | keadaan | Sumber |
| Takat didih | 692.9±65.0 °C | Akhbar: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 106.61±3.0 kJ/mol | Akhbar: 760 Torr | (1) ACD |
| Titik Kilat | 372.8±34.3 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1H NMR
13C NMR
![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-metiletil) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
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![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-metil etil)fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)