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Home > Other Heterocycles > 947-28-4
947-28-4 | 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dihydroxy-,3,9-dioxide
CAS No: 947-28-4 Catalog No: AG006SCO MDL No:
Product Description
Catalog Number:
AG006SCO
Chemical Name:
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dihydroxy-,3,9-dioxide
CAS Number:
947-28-4
Molecular Formula:
C5H10O8P2
Molecular Weight:
260.0756
IUPAC Name:
3,9-dihydroxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
InChI:
InChI=1S/C5H10O8P2/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5/h1-4H2,(H,6,7)(H,8,9)
InChI Key:
JFNUMGDTFPLKIU-UHFFFAOYSA-N
SMILES:
OP1(=O)OCC2(CO1)COP(=O)(OC2)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.075g/mol
Monoisotopic Mass:
259.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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