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4-Phospho D-Erythronate

CAT: 0572-TRC-P355000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P355000-10MGSize:10 mg
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CAS Number
57229-25-1
Synonyms
(2R,3R)-2,3-Dihydroxy-4-(phosphonooxy)butanoic Acid; [R-(R*,R*)]-2,3-Dihydroxy-4-(phosphonooxy)butanoic Acid;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O
Molecular Formula
C4H9O8P
Molecular Weight
216.08
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Phospho-D-Erythronate

4-phospho-D-erythronic acid is the D-enantiomer of 4-phosphoerythronic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a D-erythronic acid. It is a conjugate acid of a 4-O-phosphonato-D-erythronate(3-). It is an enantiomer of a 4-phospho-L-erythronic acid.

CAS Number57229-25-1
PubChem CID449304
IUPAC Name(2R,3R)-2,3-dihydroxy-4-phosphonooxybutanoic acid
Molecular FormulaC4H9O8P
Molecular Weight216.08
XLogP-3.2
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity220
SMILES
C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1
InChIKey
ZCZXOHUILRHRQJ-PWNYCUMCSA-N
Chemical Structure
2D Structure
2D structure of 4-Phospho-D-Erythronate
CAS: 57229-25-1
CID: 449304
Formula: C4H9O8P
MW: 216.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.08
XLogP3-3.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass216.00350424
Monoisotopic Mass216.00350424
Topological Polar Surface Area145 Ų
Heavy Atom Count13
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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