[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate

C7H8O7 — CID 118281516

IUPAC[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
SMILESO=COC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C7H8O7/c8-1-3(10)5-4(11)6(13-2-9)7(12)14-5/h2-3,5,8,10-11H,1H2/t3-,5+/m0/s1
InChIKeyHCVKDFNQOXYDHC-WVZVXSGGSA-N
MW204.13 g/mol
LogP-1.79
Rot. Bonds4

About [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate

[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate (PubChem CID 118281516) has the molecular formula C7H8O7 and a molecular weight of 204.13 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
PubChem CID118281516
Molecular FormulaC7H8O7
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
SMILESO=COC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C7H8O7/c8-1-3(10)5-4(11)6(13-2-9)7(12)14-5/h2-3,5,8,10-11H,1H2/t3-,5+/m0/s1
InChIKeyHCVKDFNQOXYDHC-WVZVXSGGSA-N
XLogP-1.79
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate 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)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate?
The IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate (CID 118281516) is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate.
What is the SMILES notation for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate?
The canonical SMILES for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate is O=COC1=C(O)[C@@H]([C@@H](O)CO)OC1=O.
What is the InChIKey of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate?
The InChIKey is HCVKDFNQOXYDHC-WVZVXSGGSA-N. The full InChI is InChI=1S/C7H8O7/c8-1-3(10)5-4(11)6(13-2-9)7(12)14-5/h2-3,5,8,10-11H,1H2/t3-,5+/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate?
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate has a molecular weight of 204.13 g/mol, XLogP of -1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate is sourced from PubChem (CID 118281516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).