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1372719-93-1 | Diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, 10,11,12,13-tetrahydro-5-hydroxy-3,7-di-9-phenanthrenyl-, 5-oxide, (11aR)-
CAS No: 1372719-93-1 Catalog No: AG00130Z MDL No:
Product Description
Catalog Number:
AG00130Z
Chemical Name:
Diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, 10,11,12,13-tetrahydro-5-hydroxy-3,7-di-9-phenanthrenyl-, 5-oxide, (11aR)-
CAS Number:
1372719-93-1
IUPAC Name:
12-hydroxy-1,10-di(phenanthren-9-yl)-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide
InChI:
InChI=1S/C45H31O4P/c46-50(47)48-43-37(39-25-29-9-1-3-11-31(29)33-13-5-7-15-35(33)39)19-17-27-21-23-45(41(27)43)24-22-28-18-20-38(44(49-50)42(28)45)40-26-30-10-2-4-12-32(30)34-14-6-8-16-36(34)40/h1-20,25-26H,21-24H2,(H,46,47)
InChI Key:
GMCOBEDKNDREBU-UHFFFAOYSA-N
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.196g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
666.713g/mol
Monoisotopic Mass:
666.196g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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