(2S,3R)-2,3-dihydroxybutanoic acid

C4H8O4 — CID 10964471

IUPAC(2S,3R)-2,3-dihydroxybutanoic acid
SMILESC[C@@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyLOUGYXZSURQALL-GBXIJSLDSA-N
MW120.10 g/mol
LogP-1.19
Rot. Bonds2

About (2S,3R)-2,3-dihydroxybutanoic acid

(2S,3R)-2,3-dihydroxybutanoic acid (PubChem CID 10964471) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is (2S,3R)-2,3-dihydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2,3-dihydroxybutanoic acid
PubChem CID10964471
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name(2S,3R)-2,3-dihydroxybutanoic acid
SMILESC[C@@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyLOUGYXZSURQALL-GBXIJSLDSA-N
XLogP-1.19
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dihydroxybutanoic acid?
The IUPAC name of (2S,3R)-2,3-dihydroxybutanoic acid (CID 10964471) is (2S,3R)-2,3-dihydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2,3-dihydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2,3-dihydroxybutanoic acid is C[C@@H](O)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-2,3-dihydroxybutanoic acid?
The InChIKey is LOUGYXZSURQALL-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1.
What are the key properties of (2S,3R)-2,3-dihydroxybutanoic acid?
(2S,3R)-2,3-dihydroxybutanoic acid has a molecular weight of 120.10 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dihydroxybutanoic acid is sourced from PubChem (CID 10964471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).