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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Also known as: 3469-79-2, Succinyl monophosphate, Dtxsid90188245, Butanedioic acid, monoanhydride with phosphoric acid

Molecular Formula

C₄H₇O₇P

Molecular Weight

198.07 g/mol

InChI Key

NPSIAHHANQRSIB-UHFFFAOYSA-N

1 2D Structure

Succinyl phosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

oxolane-2,5-dione;phosphoric acid

2.1.2 InChI

InChI=1S/C4H4O3.H3O4P/c5-3-1-2-4(6)7-3;1-5(2,3)4/h1-2H2;(H3,1,2,3,4)

2.1.3 InChI Key

NPSIAHHANQRSIB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(=O)OC1=O.OP(=O)(O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Succinyl Monophosphate

2. Succinyl Phosphate, Trilithium Salt

2.2.2 Depositor-Supplied Synonyms

1. 3469-79-2

2. Succinyl Monophosphate

3. Dtxsid90188245

4. Butanedioic Acid, Monoanhydride With Phosphoric Acid

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₄H₇O₇P
Molecular Weight	198.07 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	197.99293956 g/mol
Monoisotopic Mass	197.99293956 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	152
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2