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1297613-74-1 | Diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, 10,11,12,13-tetrahydro-5-hydroxy-3,7-di-2-naphthalenyl-, 5-oxide, (11aR)-
CAS No: 1297613-74-1 Catalog No: AG000TNG MDL No:
Product Description
Catalog Number:
AG000TNG
Chemical Name:
Diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, 10,11,12,13-tetrahydro-5-hydroxy-3,7-di-2-naphthalenyl-, 5-oxide, (11aR)-
CAS Number:
1297613-74-1
Molecular Formula:
C37H27O4P
Molecular Weight:
566.5816
IUPAC Name:
6-[5-hydroxy-7-(5-oxo-4aH-naphthalen-2-yl)-9,10-dihydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-3-yl]-8aH-naphthalen-1-one
InChI:
InChI=1S/C37H25O5P/c38-30-7-1-4-20-16-22(10-12-25(20)30)24-14-15-33-36-28(24)18-34(40)37(36)19-29(27-6-3-9-32(35(27)37)41-43-42-33)23-11-13-26-21(17-23)5-2-8-31(26)39/h1-2,4-8,10-19,25-26,40,43H,3,9H2
InChI Key:
UCOPDKPEAFZORS-UHFFFAOYSA-N
SMILES:
OP1(=O)Oc2c(ccc3c2C2(c4c(O1)c(ccc4CC2)c1ccc2c(c1)cccc2)CC3)c1ccc2c(c1)cccc2
Properties
Complexity:
1780
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.144g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
580.576g/mol
Monoisotopic Mass:
580.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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