(2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal

C5H10O4S — CID 87090529

IUPAC(2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)CS
InChIInChI=1S/C5H10O4S/c6-1-3(7)5(9)4(8)2-10/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
InChIKeyVKIZGCILTVKEFV-VPENINKCSA-N
MW166.20 g/mol
LogP-1.80
Rot. Bonds4

About (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal

(2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal (PubChem CID 87090529) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal.

Molecular Properties

Compound Name(2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal
PubChem CID87090529
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name(2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)CS
InChIInChI=1S/C5H10O4S/c6-1-3(7)5(9)4(8)2-10/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
InChIKeyVKIZGCILTVKEFV-VPENINKCSA-N
XLogP-1.80
TPSA77.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal?
The IUPAC name of (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal (CID 87090529) is (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal.
What is the SMILES notation for (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal?
The canonical SMILES for (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal is O=C[C@H](O)[C@@H](O)[C@H](O)CS.
What is the InChIKey of (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal?
The InChIKey is VKIZGCILTVKEFV-VPENINKCSA-N. The full InChI is InChI=1S/C5H10O4S/c6-1-3(7)5(9)4(8)2-10/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1.
What are the key properties of (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal?
(2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal has a molecular weight of 166.20 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2,3,4-trihydroxy-5-sulfanylpentanal is sourced from PubChem (CID 87090529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).