(2R,3S)-2,3,4-trihydroxybutanoic acid

C4H8O5 — CID 5460407

IUPAC(2R,3S)-2,3,4-trihydroxybutanoic acid
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)/t2-,3+/m0/s1
InChIKeyJPIJQSOTBSSVTP-STHAYSLISA-N
MW136.10 g/mol
LogP-2.21
Rot. Bonds3

About (2R,3S)-2,3,4-trihydroxybutanoic acid

(2R,3S)-2,3,4-trihydroxybutanoic acid (PubChem CID 5460407) has the molecular formula C4H8O5 and a molecular weight of 136.10 g/mol. Its IUPAC name is (2R,3S)-2,3,4-trihydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3S)-2,3,4-trihydroxybutanoic acid
PubChem CID5460407
Molecular FormulaC4H8O5
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name(2R,3S)-2,3,4-trihydroxybutanoic acid
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)/t2-,3+/m0/s1
InChIKeyJPIJQSOTBSSVTP-STHAYSLISA-N
XLogP-2.21
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3,4-trihydroxybutanoic acid?
The IUPAC name of (2R,3S)-2,3,4-trihydroxybutanoic acid (CID 5460407) is (2R,3S)-2,3,4-trihydroxybutanoic acid.
What is the SMILES notation for (2R,3S)-2,3,4-trihydroxybutanoic acid?
The canonical SMILES for (2R,3S)-2,3,4-trihydroxybutanoic acid is O=C(O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-2,3,4-trihydroxybutanoic acid?
The InChIKey is JPIJQSOTBSSVTP-STHAYSLISA-N. The full InChI is InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1.
What are the key properties of (2R,3S)-2,3,4-trihydroxybutanoic acid?
(2R,3S)-2,3,4-trihydroxybutanoic acid has a molecular weight of 136.10 g/mol, XLogP of -2.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3,4-trihydroxybutanoic acid is sourced from PubChem (CID 5460407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).