TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM SULFATE

General Information

Mainterm	TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM SULFATE
CAS Reg.No.(or other ID)	55566-30-8
Regnum	176.300

From www.fda.gov

Computed Descriptors

2D Structure
CID	41478
IUPAC Name	tetrakis(hydroxymethyl)phosphanium;sulfate
InChI	InChI=1S/2C4H12O4P.H2O4S/c25-1-9(2-6,3-7)4-8;1-5(2,3)4/h25-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2
InChI Key	YIEDHPBKGZGLIK-UHFFFAOYSA-L
Canonical SMILES	C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]
Molecular Formula	C8H24O12P2S
Wikipedia	tetrakis(hydroxymethyl)phosphonium sulfate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	406.276
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Complexity	118.0
CACTVS Substructure Key Fingerprint	A A A D c e B w P A N 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 A A A E g g A C A A A A A A A A A I A A A A A A i A A A A A A A D A A A A A A A A A A A A A A A A A A E 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 A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	251.0
Monoisotopic Mass	406.046
Exact Mass	406.046
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	23
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic salts
Class	Organic sulfate salts
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic sulfate salts
Alternative Parents	Organopnictogen compounds Organic sulfuric acids and derivatives Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic zwitterions
Molecular Framework	Not available
Substituents	Organic sulfate salt - Tetraalkylphosphonium compound - Organic sulfuric acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic sulfate salts. These are organic compounds containing a sulfate ion.

From ClassyFire