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

C4H8O4 — CID 5460672

IUPAC(2R,3S)-2,3,4-trihydroxybutanal
SMILESO=C[C@H](O)[C@@H](O)CO
InChIInChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4-/m0/s1
InChIKeyYTBSYETUWUMLBZ-IMJSIDKUSA-N
MW120.10 g/mol
LogP-2.10
Rot. Bonds3

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

(2R,3S)-2,3,4-trihydroxybutanal (PubChem CID 5460672) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is (2R,3S)-2,3,4-trihydroxybutanal.

Molecular Properties

Compound Name(2R,3S)-2,3,4-trihydroxybutanal
PubChem CID5460672
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name(2R,3S)-2,3,4-trihydroxybutanal
SMILESO=C[C@H](O)[C@@H](O)CO
InChIInChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4-/m0/s1
InChIKeyYTBSYETUWUMLBZ-IMJSIDKUSA-N
XLogP-2.10
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3,4-trihydroxybutanal?
The IUPAC name of (2R,3S)-2,3,4-trihydroxybutanal (CID 5460672) is (2R,3S)-2,3,4-trihydroxybutanal.
What is the SMILES notation for (2R,3S)-2,3,4-trihydroxybutanal?
The canonical SMILES for (2R,3S)-2,3,4-trihydroxybutanal is O=C[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-2,3,4-trihydroxybutanal?
The InChIKey is YTBSYETUWUMLBZ-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4-/m0/s1.
What are the key properties of (2R,3S)-2,3,4-trihydroxybutanal?
(2R,3S)-2,3,4-trihydroxybutanal has a molecular weight of 120.10 g/mol, XLogP of -2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3,4-trihydroxybutanal is sourced from PubChem (CID 5460672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).