![C31H30N2O7 6h-Furo [II ', III, 4,5] Oxazolo [3,2-a] Pyrimidin-VI-unus, II - -2,3,3,, 9a-Tetraxy, III -2,3,3,3,3,3,3, (IV-0 -2,3,3,3,3,3a, (IV-Methyly -2,3,3, [IV-Tetraxy, Hydroxy, 7A, Tetraxy, III -2,3,3,, 9a-Tetraxy, III -2,3,3,-, 9a, Tetraxy, (2r, 3r, 3as, 9ar) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6h-Furo [II ', III, 4,5] Oxazolo [3,2-a] Pyrimidin-VI-unus, II - -2,3,3,, 9a-Tetraxy, III -2,3,3,3,3,3,3, (IV-0 -2,3,3,3,3,3a, (IV-Methyly -2,3,3, [IV-Tetraxy, Hydroxy, 7A, Tetraxy, III -2,3,3,, 9a-Tetraxy, III -2,3,3,-, 9a, Tetraxy, (2r, 3r, 3s, 9ar) - (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6h-Furo [II ', III, 4,5] Oxazolo [3,2-a] Pyrimidin-VI-unus, II - -2,3,3,, 9a-Tetraxy, III -2,3,3,3,3,3,3, (IV-0 -2,3,3,3,3,3a, (IV-Methyly -2,3,3, [IV-Tetraxy, Hydroxy, 7A, Tetraxy, III -2,3,3,, 9a-Tetraxy, III -2,3,3,-, 9a, Tetraxy, (2r, 3r, 3as, 9ar) - (9CI, ACI)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 542,58 | - |
| Ferveret (praedicta) | 692,9 ± 65.0 ° C | Press: DCCLX Torr |
| Density (praedicta) | 1.33 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 12.51 ± 0.60 | Most Acidic Temp: XXV ° C |
Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1C)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES 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 (XXXIII) 32-28 (XIX) XXXV) XXVI (XXXIV) XXV (39-29) 18-38-31 (20-7-5-6-8-20,21-9-13-23 (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-, XXVII +, 29- / M1 / S1
Key Inchi
BQeqceznlikssh, cithkvlsa, n
I aliud nomen huius substantiae
(2r, 3r, 3as, 9ar) -2 - [[bis (IV-methoxyphen), phenylmethoxy]-III -2,3,3,-, VII, 6.5] -2,3, VII-a]-VI-[II, Pyrimidin-VI, [III-A]
Spectra praesto
1h NMR
13c NMR
Missa
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
| Scelerum |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | MMDCCC | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCC | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCC | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCC | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCC | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCC | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCC | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCC | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCC | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMDCCXC | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | (X) CC | PH I; Temp: XXV ° C | (I) ACD |
| Koc | (X) CC | PH II; Temp: XXV ° C | (I) ACD |
| Koc | (X) CC | PH III; Temp: XXV ° C | (I) ACD |
| Koc | (X) CC | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | (X) CC | PH V; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | (X) CC | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | (X) CC | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | (X) CC | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | (X) CC | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | (X) CC | PH X; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 4.84 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 4.839 ± 0.618 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 10-4 X G / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 6.6 x 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6,7 x 10-7 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Pondus | 542,58 | ||
| PKA | 12.51 ± 0.60 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | -4.38 ± 0.60 | Maxime basic temp: XXV ° | (I) ACD |
| Vapor | 3,73 x 10-20 Torr | Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.33 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 404.9 ± 7.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 9 | (I) ACD | |
| H acceptors | 9 | (I) ACD | |
| H donos | 1 | (I) ACD | |
| H donator / Acceptor Sum | 10 | (I) ACD | |
| logp | 4.839 ± 0.618 | Temp: XXV ° C | (I) ACD |
| Pondus | 542,58 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | 99.1 A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Scelerum
| Res | Valor | Conditio | Fons |
| PRAETERITUS | 692,9 ± 65.0 ° C | Press: DCCLX Torr | (I) ACD |
| Enthalpy vaporation | 106.61 ± 3.0 KJ / Mol | Press: DCCLX Torr | (I) ACD |
| Flash Point | 372,8 ± 34.3 ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
![C39H37N5O7 Adenosine, N-Benzoyl-5'-O- [bis (IV-methoxyphen) Phenylmethyl] -2'- o-methyl- (9ci, aci)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C20h31No5 Heptanoic acidum, 3- hydroxy-V-methyl, IV - [[(phenylmethoxy) carbonyl] amino] -, 1,1-Dimethylethyl, [3r- (3r *, 4 *, 5s *)] - (9ci) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C47H51FN7O7P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine-300x300.png)
![C34H39N3O8 Cytidine, 5'-O- [bis (IV-metoxyphen) Phenylmethyl] -2' -2 'o- (II-methtero yethyl) -2 (II-methtero yethyl) -5-methyl- (9ci, aci)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C21H23N3O5 L-Ornithine, N5- (Aminocarbonyl) -n2 - [(9h-fluoren-IX-ylmethoxy) carbonyl] - (9ci, aci)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)