![C30H28N2O7 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-metoksy phenyl)fenylmethoxy]methyl]-2,3,3a ,9a-tetrahîdro-3-hîdroksî-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-metoksy phenyl)fenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Wêne Taybetmendî](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-metoksy phenyl)fenylmethoxy]methyl]-2,3,3a ,9a-tetrahîdro-3-hîdroksî-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 528,55 | - |
| Xala Helînê (Ezmûnî) | 129,5-130 °C | - |
| Xala kelandinê (pêşbînîkirî) | 688,2±65,0 °C | Çapemenî: 760 Torr |
| Density (Pêşbîn kirin) | 1,35±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 12,51±0,40 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
PÊŞÎNÊN Îzomerî C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36- 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChI Key
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Navên din ên vê madeyê
(2R,3R,3aS,9aR)-2-[[Bis(4-metoksîfenîl)fenîlmetoksî]methyl]-2,3,3a,9a-tetrahydro-3-hîdroksî-6H-furo[2',3':4 ,5]oxazolo[3,2-a] pyrimidin-6-one (ACI);6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-metoksîfenîl)fenîlmetoksî]methyl]-2,3,3a,9a -
tetrahydro-3-hîdroksî-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Taybetmendiyên berdest |
| Termal |
Termal
| Mal | Giranî | Rewş | Kanî |
| Melting Point | 129,5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy;Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, CAplus
| Spectra heye |
| 1H NMR |
| 13C NMR |
| IR |
| Gel |
Taybetmendiyên Pêşbînîkirî
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
| Termal |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 1360 | pH 1;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1360 | pH 2;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1360 | pH 3;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1360 | pH 4;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1360 | pH 5;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1360 | pH 6;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1360 | pH 7;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 1360 | pH 8;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1360 | pH 9;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1350 | pH 10;Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 6080 | pH 1;Germ: 25 °C | (1) ACD |
| Koc | 6080 | pH 2;Germ: 25 °C | (1) ACD |
| Koc | 6080 | pH 3;Germ: 25 °C | (1) ACD |
| Koc | 6080 | pH 4;Germ: 25 °C | (1) ACD |
| Koc | 6080 | pH 5;Germ: 25 °C | (1) ACD |
| Koc | 6080 | pH 6;Germ: 25 °C | (1) ACD |
| Koc | 6080 | pH 7;Germ: 25 °C | (1) ACD |
| Koc | 6080 | pH 8;Germ: 25 °C | (1) ACD |
| Koc | 6070 | pH 9;Germ: 25 °C | (1) ACD |
| Koc | 6060 | pH 10;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 1;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 2;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 3;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 4;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 5;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 6;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 7;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 8;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 9;Germ: 25 °C | (1) ACD |
| logD | 4.42 | pH 10;Germ: 25 °C | (1) ACD |
| logP | 4,424±0,618 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 5,8 x 10-4 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-4 g/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,1 x 10-6 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-6 mol/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 528,55 | ||
| pKa | 12,51±0,40 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | -4,70±0,60 | Germahiya herî bingehîn: 25 °C | (1) ACD |
| Vapor Pressure | 6,91 x 10-20 Torr | Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,35±0,1 g/cm3 | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 389,8±7,0 cm3/mol | Germ: 20 °C;Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 9 | (1) ACD | |
| Mal | Giranî | Rewş | Kanî |
| H Qebûrker | 9 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qebûl Sum | 10 | (1) ACD | |
| logP | 4,424±0,618 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 528,55 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 99.1 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Termal
| Mal | Giranî | Rewş | Kanî |
| Xala kelandinê | 688,2±65,0 °C | Çapemenî: 760 Torr | (1) ACD |
| Entalpiya Vaporîzasyonê | 105,96±3,0 kJ/mol | Çapemenî: 760 Torr | (1) ACD |
| Flash Point | 370,0±34,3 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
![C21H23N3O5 L-Ornîtîn, N5-(aminokarbonîl)-N2-[(9H-fluoren-9-îlmetoksî) karbonîl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![118 Re36H44N2O8Si Uridine, 5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'-O-[(1,1-dimetîlethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C42H52N5O9P Cytidine, N-acetil-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O-methyl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C17H19N3O6 Tîmîdîn, α -oxo- α -[(fenîlmetîl) amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosine, 5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'-O-[(1,1-dimetîlethyl)dimethylsilyl]-N-(2-methyl-1-oksopropil)- (9CI, ACI )](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)