![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (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-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9Ci, ACI) Featured Image](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-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 528.55 | - |
| Melting Point (experimentalem) | 129.5-130 ° C | - |
| Ferveret (praedicta) | 688,2 ± 65.0 ° C | Press: DCCLX Torr |
| Density (praedicta) | 1.35 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 12.51 ± 0.40 | Most Acidic Temp: XXV ° C |
Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomerici risum dat C (O [c @ h] 1o [c @@] II (cc = c (= c (= C5 c. C (c = C5 =) c (c = c5 =) C6 = c (c5 = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c = c (c5 = c (= c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c = c (c ^ = c (c = c5) c = c (c = c (C5 = c (c ^ = c (c ^ = c (c = c (c = c (c = c (c = c (c = C5) c (c = c5 =) C5 = c (C5 = c (c ^ = c (c ^ = c (c = c0 =) c = c (c ^ = c (c ^ = c (c ^ = c (= c5 c - c ^ = c (= c5 c.
INCHI
Inchi = 1s / c30h28n2o7 / C1-35-22-12-8-20 (9-13-22) XXX (19-6-4-3-5-7-19,21-10-14-23 (36-2) 15-11-21) 37-18-24-26 (XXXIV) 27-28 (33-24) 32-17- 16-25 (XXXIII) 31-29 (XXXII) 39-27 / H3-17,24,26-28,34H, 18h2,1-2H3 / T24-, 26-, XXVII +, 28- / M1 / S1
Key Inchi
Oeirlwhcgaicdw, aogfthlwsa, n
II aliis nominibus hanc substantiam
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one (ACI); 6H-Furo [II, 'III, 4,5] Oxazolo [3,2-a] Pyimidin-VI-unum, II - [[bis (IV-methoxyphen) Phenylmethoxy] Methyl] -2,3,3A, 9a-
Tetrahydro-III-hydroxy-, [2r- (2α, III, 3Aβ, 9Aβ)] - (Zci)
| Proprietatibus praesto |
| Scelerum |
Scelerum
| Res | Valor | Conditio | Fons |
| Point liquescens | 129.5-130 ° C | (I) CAS | |
(I) Szlenkier, Maurycy; Nucleosides, nucleic acida nucleotides & (MMXVI), XXXV (VIII), 410-425, Caplus
| Spectra praesto |
| 1h NMR |
| 13c NMR |
| IR |
| Missa |
Praedixit possessiones
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
| Scelerum |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | MCCCLX | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCCLX | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCCLX | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCCLX | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCCLX | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCCLX | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCCLX | PH VII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | MCCCLX | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCCLX | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCCL | 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 | (VI) LXXX | PH I; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LXXX | PH II; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LXXX | PH III; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LXXX | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LXXX | PH V; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LXXX | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LXXX | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LXXX | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LXX | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | (VI) LX | PH X; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 4.42 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 4.424 ± 0.618 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 5.8 x 10-4 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Missam solubility | 5.8 x 10-4 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-4 g / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | X 10-6 Mol X / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-6 Mol X / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Pondus | 528.55 | ||
| PKA | 12.51 ± 0.40 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | -4.70 ± 0.60 | Maxime basic temp: XXV ° | (I) ACD |
| Vapor | 6.91 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 | 1.35 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 389,8 ± 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 | |
| Res | Valor | Conditio | Fons |
| H acceptors | 9 | (I) ACD | |
| H donos | 1 | (I) ACD | |
| H donator / Acceptor Sum | 10 | (I) ACD | |
| logp | 4.424 ± 0.618 | Temp: XXV ° C | (I) ACD |
| Pondus | 528.55 |
(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 | 688,2 ± 65.0 ° C | Press: DCCLX Torr | (I) ACD |
| Enthalpy vaporation | 105.96 ± 3.0 KJ / Mol | Press: DCCLX Torr | (I) ACD |
| Flash Point | 370,0 ± 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
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