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871130-18-6

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Basic Information
CAS No.: 871130-18-6
Name: (R)-VAPOL HYDROGENPHOSPHATE
Article Data: 2
Molecular Structure:
Molecular Structure of 871130-18-6 ((R)-VAPOL HYDROGENPHOSPHATE)
Formula: C40H25O4P
Molecular Weight: 600.61
Synonyms: VAPOL hydrogenphosphate; VAPOL phosphoric acid; rac-VAPOL hydrogen phosphate; (S)-VAPOL hydrogenphosphate; (R)-VAPOL HYDROGENPHOSPHATE; (R)-VAPOL phosphoric acid; (S)-VAPOL phosphoric acid; 查看更多英文别名 收起
Density: 1.449 g/cm3
Melting Point: >300 °C
PSA: 65.57000
LogP: 11.17200
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Specification

The (R)-(-)-VAPOL hydrogenphosphate, with the CAS registry number 871130-18-6, is also known as Diphenanthro[4,3-d:3',4'-f][1,3,2]dioxaphosphepin, 18-hydroxy-8,9-diphenyl-, 18-oxide, (8aR)-. This chemical's molecular formula is C40H25O4P and molecular weight is 600.60. What's more, its systematic name is 8,9-Diphenyldiphenanthro[4,3-d:3',4'-f][1,3,2]dioxaphosphepin-18-ol 18-oxide. 

Physical properties of (R)-(-)-VAPOL hydrogenphosphate are: (1)ACD/LogP: 9.968; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.52; (4)ACD/LogD (pH 7.4): 6.47; (5)ACD/BCF (pH 5.5): 7952.41; (6)ACD/BCF (pH 7.4): 7024.91; (7)ACD/KOC (pH 5.5): 2261.24; (8)ACD/KOC (pH 7.4): 1997.51; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.57 Å2; (13)Index of Refraction: 1.823; (14)Molar Refractivity: 180.805 cm3; (15)Molar Volume: 414.392 cm3; (16)Polarizability: 71.677×10-24cm3; (17)Surface Tension: 79.4 dyne/cm; (18)Density: 1.449 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)c2cc3ccc4ccccc4c3c5c2-c6c(cc7ccc8ccccc8c7c6OP(=O)(O5)O)c9ccccc9
(2)Std. InChI: InChI=1S/C40H25O4P/c41-45(42)43-39-35-29(21-19-27-15-7-9-17-31(27)35)23-33(25-11-3-1-4-12-25)37(39)38-34(26-13-5-2-6-14-26)24-30-22-20-28-16-8-10-18-32(28)36(30)40(38)44-45/h1-24H,(H,41,42)
(3)Std. InChIKey: YKIJNEDTUDPMNC-UHFFFAOYSA-N