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(3R)-1,3-Dihydroxy-4-(phosphonooxy)-2-butanone

HCID 146355
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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
92175-70-7
Standard SMILES
O=C(CO)[C@H](O)COP(=O)(O)O
InChIKey
WUVPHPUDYOVMOE-SCSAIBSYSA-N
Molecular formula
C4H9O7P
Average molar mass
200.08 g/mol
Monoisotopic mass
200.00858962

Overview

D-erythrulose 4-phosphate is a ketotetrose phosphate that is D-erythrulose carrying a phosphono substituent at position O-4. It has a role as a bacterial metabolite. It is functionally related to a D-erythrulose. It is a conjugate acid of a D-erythrulose 4-phosphate(2-). It is an enantiomer of a L-erythrulose 4-phosphate.

Names & identifiers

Preferred name
(3R)-1,3-Dihydroxy-4-(phosphonooxy)-2-butanone
IUPAC
[(2R)-2,4-dihydroxy-3-oxobutyl] dihydrogen phosphate
English name
2-Butanone, 1,3-dihydroxy-4-(phosphonooxy)-, (R)-
Molecular formula
C4H9O7P
Molecular weight
0

Names & synonyms

D-Erythrulose 4-phosphate92175-70-7CHEBI:4116((2R)-2,4-dihydroxy-3-oxo-butyl) dihydrogen phosphate[(2R)-2,4-dihydroxy-3-oxo-butyl] dihydrogen phosphateRefChem:921150GlyTouCan:G76168OXG76168OX(3R)-1,3-Dihydroxy-4-(phosphonooxy)-2-butanoneErythrulose 4-phosphate[(2R)-2,4-dihydroxy-3-oxobutyl] dihydrogen phosphate2-Butanone, 1,3-dihydroxy-4-(phosphonooxy)-, (R)-
Show more names
C03604(2R)-2,4-dihydroxy-3-oxobutyl dihydrogen phosphateAC1L3T1ZErythrulose-4-phosphatSCHEMBL18341365DTXSID50238912D-glycero-Tetrulose, 4-phosphateQ27106302

Database identifiers

CAS
92175-70-7
PubChem CID
146355
DTXSID
DTXSID50238912
ChEBI
CHEBI:4116
Nikkaji
J865.582K

Properties

Computed structural properties

XLogP
-3.1
Topological polar surface area
124 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
12
Formal charge
0
Complexity
196

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Additional notes

DefinitionChEBI: A ketotetrose phosphate that is D-erythrulose carrying a phosphono substituent at position O-4.

Related reactions

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Compound notes

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