[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate

C10H16O6 — CID 67711826

IUPAC[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate
SMILESC=CCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O6/c1-2-3-8(13)16-7(4-11)10-9(14)6(12)5-15-10/h2,6-7,9-12,14H,1,3-5H2/t6-,7+,9+,10+/m0/s1
InChIKeyGCDVAUXTASTIGG-MVHNUAHISA-N
MW232.23 g/mol
LogP-1.41
Rot. Bonds5

About [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate

[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate (PubChem CID 67711826) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate.

Molecular Properties

Compound Name[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate
PubChem CID67711826
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate
SMILESC=CCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O6/c1-2-3-8(13)16-7(4-11)10-9(14)6(12)5-15-10/h2,6-7,9-12,14H,1,3-5H2/t6-,7+,9+,10+/m0/s1
InChIKeyGCDVAUXTASTIGG-MVHNUAHISA-N
XLogP-1.41
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate 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 [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate?
The IUPAC name of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate (CID 67711826) is [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate.
What is the SMILES notation for [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate?
The canonical SMILES for [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate is C=CCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O.
What is the InChIKey of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate?
The InChIKey is GCDVAUXTASTIGG-MVHNUAHISA-N. The full InChI is InChI=1S/C10H16O6/c1-2-3-8(13)16-7(4-11)10-9(14)6(12)5-15-10/h2,6-7,9-12,14H,1,3-5H2/t6-,7+,9+,10+/m0/s1.
What are the key properties of [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate?
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate has a molecular weight of 232.23 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] but-3-enoate is sourced from PubChem (CID 67711826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).