(2R,3S)-2,3,4-trihydroxybutanoate

C4H7O5- — CID 21145021

IUPAC(2R,3S)-2,3,4-trihydroxybutanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)CO
InChIInChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1/t2-,3+/m0/s1
InChIKeyJPIJQSOTBSSVTP-STHAYSLISA-M
MW135.09 g/mol
LogP-3.55
Rot. Bonds3

About (2R,3S)-2,3,4-trihydroxybutanoate

(2R,3S)-2,3,4-trihydroxybutanoate (PubChem CID 21145021) has the molecular formula C4H7O5- and a molecular weight of 135.09 g/mol. Its IUPAC name is (2R,3S)-2,3,4-trihydroxybutanoate.

Molecular Properties

Compound Name(2R,3S)-2,3,4-trihydroxybutanoate
PubChem CID21145021
Molecular FormulaC4H7O5-
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name(2R,3S)-2,3,4-trihydroxybutanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)CO
InChIInChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1/t2-,3+/m0/s1
InChIKeyJPIJQSOTBSSVTP-STHAYSLISA-M
XLogP-3.55
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 5-3.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3,4-trihydroxybutanoate?
The IUPAC name of (2R,3S)-2,3,4-trihydroxybutanoate (CID 21145021) is (2R,3S)-2,3,4-trihydroxybutanoate.
What is the SMILES notation for (2R,3S)-2,3,4-trihydroxybutanoate?
The canonical SMILES for (2R,3S)-2,3,4-trihydroxybutanoate is O=C([O-])[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-2,3,4-trihydroxybutanoate?
The InChIKey is JPIJQSOTBSSVTP-STHAYSLISA-M. The full InChI is InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1/t2-,3+/m0/s1.
What are the key properties of (2R,3S)-2,3,4-trihydroxybutanoate?
(2R,3S)-2,3,4-trihydroxybutanoate has a molecular weight of 135.09 g/mol, XLogP of -3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3,4-trihydroxybutanoate is sourced from PubChem (CID 21145021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).