[(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'}

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Related Compounds

[(2R)-2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 54690328
[2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 130404672
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 165356355
[(2S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfate
CID 90473291
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfite
CID 71144881
l-ascorbic acid-2-phosphate magnesium salt
CID 54710612
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
CID 172873209
CID 172873209
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2H-furan-5-one
CID 90048246
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
CID 175868978
CID 175868978

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).