MANGANESE GLYCEROPHOSPHATE

General Information

Mainterm	MANGANESE GLYCEROPHOSPHATE
Doc Type	NUL
CAS Reg.No.(or other ID)	1320-46-3
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	11579475
IUPAC Name	2,3-dihydroxypropyl phosphate;manganese(2+)
InChI	InChI=1S/C3H9O6P.Mn/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
InChI Key	CQQGLXZHXDHSJD-UHFFFAOYSA-L
Canonical SMILES	C(C(COP(=O)([O-])[O-])O)O.[Mn+2]
Molecular Formula	C3H7MnO6P
Wikipedia	manganese rac-glyceryl-1-phosphate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	224.995
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Complexity	117.0
CACTVS Substructure Key Fingerprint	A A A D c Y B A O A I A A A B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C C A A C B S g g A I A A A A A A x A A Q A A A A I A A A A A A A A A A A A A A A A A B E A A A A A A A Q A A B A A A B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	113.0
Monoisotopic Mass	224.936
Exact Mass	224.936
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	11
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Glycerophospholipids
Subclass	Glycerophosphates
Intermediate Tree Nodes	Not available
Direct Parent	Glycerophosphates
Alternative Parents	Organic transition metal salts Primary alcohols Hydrocarbon derivatives Organic oxides Alkyl phosphates Secondary alcohols 1,2-diols
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sn-glycerol-3-phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Secondary alcohol - 1,2-diol - Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as glycerophosphates. These are compounds containing a glycerol linked to a phosphate group.

From ClassyFire