1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,5-dihydroxypentan-3-yl phosphate;2,3-dihydroxypropyl phosphate;iron(2+)

2.1.2 InChI

InChI=1S/C5H13O6P.C3H9O6P.2Fe/c6-3-1-5(2-4-7)11-12(8,9)10;4-1-3(5)2-9-10(6,7)8;;/h5-7H,1-4H2,(H2,8,9,10);3-5H,1-2H2,(H2,6,7,8);;/q;;2*+2/p-4

2.1.3 InChI Key

CBEYZWBXIPZYNH-UHFFFAOYSA-J

2.1.4 Canonical SMILES

C(CO)C(CCO)OP(=O)([O-])[O-].C(C(COP(=O)([O-])[O-])O)O.[Fe+2].[Fe+2]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Unii-mul7onl3z6

2. Mul7onl3z6

3. Ferric Glycerophosphate [nf]

4. Einecs 215-097-7

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₈Fe₂O₁₂P₂
Molecular Weight	479.86 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	479.897221 g/mol
Monoisotopic Mass	479.897221 g/mol
Topological Polar Surface Area	226 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	254
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4

Ferric Glycerophosphate