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Home > Other Heterocycles > 845726-64-9
845726-64-9 | 8-Oxabicyclo[5.1.0]octan-2-ol, phosphate (3:1)
CAS No: 845726-64-9 Catalog No: AG004UO9 MDL No:
Product Description
Catalog Number:
AG004UO9
Chemical Name:
8-Oxabicyclo[5.1.0]octan-2-ol, phosphate (3:1)
CAS Number:
845726-64-9
Molecular Formula:
C21H39O10P
Molecular Weight:
482.5021
IUPAC Name:
8-oxabicyclo[5.1.0]octan-2-ol;phosphoric acid
InChI:
InChI=1S/3C7H12O2.H3O4P/c3*8-5-3-1-2-4-6-7(5)9-6;1-5(2,3)4/h3*5-8H,1-4H2;(H3,1,2,3,4)
InChI Key:
IHVHBYJEPXVERD-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.OC1CCCCC2C1O2.OC1CCCCC2C1O2.OC1CCCCC2C1O2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.228g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
482.507g/mol
Monoisotopic Mass:
482.228g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
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