(2S,3R)-2,3-dihydroxybutanal

C4H8O3 — CID 6102473

IUPAC(2S,3R)-2,3-dihydroxybutanal
SMILESC[C@@H](O)[C@H](O)C=O
InChIInChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4-/m1/s1
InChIKeyDFFAMJFPVBTTBX-QWWZWVQMSA-N
MW104.10 g/mol
LogP-1.07
Rot. Bonds2

About (2S,3R)-2,3-dihydroxybutanal

(2S,3R)-2,3-dihydroxybutanal (PubChem CID 6102473) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is (2S,3R)-2,3-dihydroxybutanal.

Molecular Properties

Compound Name(2S,3R)-2,3-dihydroxybutanal
PubChem CID6102473
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Name(2S,3R)-2,3-dihydroxybutanal
SMILESC[C@@H](O)[C@H](O)C=O
InChIInChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4-/m1/s1
InChIKeyDFFAMJFPVBTTBX-QWWZWVQMSA-N
XLogP-1.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dihydroxybutanal?
The IUPAC name of (2S,3R)-2,3-dihydroxybutanal (CID 6102473) is (2S,3R)-2,3-dihydroxybutanal.
What is the SMILES notation for (2S,3R)-2,3-dihydroxybutanal?
The canonical SMILES for (2S,3R)-2,3-dihydroxybutanal is C[C@@H](O)[C@H](O)C=O.
What is the InChIKey of (2S,3R)-2,3-dihydroxybutanal?
The InChIKey is DFFAMJFPVBTTBX-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4-/m1/s1.
What are the key properties of (2S,3R)-2,3-dihydroxybutanal?
(2S,3R)-2,3-dihydroxybutanal has a molecular weight of 104.10 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dihydroxybutanal is sourced from PubChem (CID 6102473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).