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Basic Information
CAS No.: 929097-92-7
Name: S-3,3'-Bis(triphenylsilyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate
Molecular Structure:
Molecular Structure of 929097-92-7 (S-3,3'-Bis(triphenylsilyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate)
Formula: C56H41O4PSi2
Molecular Weight: 865.07
Synonyms: (11bS)-4-Hydroxy-2,6-bis(triphenylsilyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide;(S)-2,2'-Dihydroxy-3,3'-bis(triphenylsilyl)-1,1'-binaphthalene cyclic phosphate;
Density: 1.328 g/cm3
Melting Point: 329-335°C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 65.57000
LogP: 8.28640
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Specification

The (S)-3,3'-Bis(triphenylsilyl)-1,1'-binaphthalene-2,2'-diyl hydrogen phosphate, with the CAS registry number 929097-92-7, is also known as (S)-2,2'-Dihydroxy-3,3'-bis(triphenylsilyl)-1,1'-binaphthalene cyclic phosphate. This chemical's molecular formula is C56H41O4PSi2 and molecular weight is 865.07. What's more, its systematic name is 2,6-Bis(triphenylsilyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide.

Physical properties of (S)-3,3'-Bis(triphenylsilyl)-1,1'-binaphthalene-2,2'-diyl hydrogen phosphate are: (1)ACD/LogP: 13.605; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.16; (4)ACD/LogD (pH 7.4): 10.11; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 217487.00; (8)ACD/KOC (pH 7.4): 190082.10; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 65.57 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 262.055 cm3; (15)Molar Volume: 651.358 cm3; (16)Polarizability: 103.887×10-24cm3; (17)Surface Tension: 64.1 dyne/cm; (18)Density: 1.328 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P3(O)Oc2c(cc1ccccc1c2c4c8c(cc(c4O3)[Si](c5ccccc5)(c6ccccc6)c7ccccc7)cccc8)[Si](c9ccccc9)(c%10ccccc%10)c%11ccccc%11
(2)Std. InChI: InChI=1S/C56H41O4PSi2/c57-61(58)59-55-51(62(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)60-61)63(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H,(H,57,58)
(3)Std. InChIKey: BDQOCXQVIFQJRK-UHFFFAOYSA-N