DTXSID40998952

hexacalcium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate

CAS: 7776-28-5

Molecular Formula	`C6H6Ca6O24P6`
Molecular Weight	888.4 g/mol
Topological Polar Surface Area	435.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	24
Rotatable Bonds	6
Exact Mass	887.543
Heavy Atoms	42
Complexity	749.0

Chemical Identifiers

CAS Number	7776-28-5
SMILES	`C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]`
InChIKey	`WPEXVRDUEAJUGY-UHFFFAOYSA-B`

📖 Product Overview

DTXSID40998952 (CAS: 7776-28-5) is a chemical compound with molecular formula C6H6Ca6O24P6 and molecular weight 888.4 g/mol. Its IUPAC systematic name is hexacalcium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate. Topological Polar Surface Area 435.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 24 Rotatable Bonds 6 Exact Mass 887.543 Heavy Atoms 42 Complexity 749.0 InChI Key: WPEXVRDUEAJUGY-UHFFFAOYSA-B. SMILES: C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].

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