(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one

C6H7O6 — CID 5483640

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one
SMILES[O]C1=C(O)C(=O)[C@@H]([C@@H](O)CO)O1
InChIInChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5+/m0/s1
InChIKeyLHFJOBMTAJJOTB-JLAZNSOCSA-N
MW175.12 g/mol
LogP-1.53
Rot. Bonds2

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one (PubChem CID 5483640) has the molecular formula C6H7O6 and a molecular weight of 175.12 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one
PubChem CID5483640
Molecular FormulaC6H7O6
Molecular Weight175.12 g/mol
Exact Mass175.02
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one
SMILES[O]C1=C(O)C(=O)[C@@H]([C@@H](O)CO)O1
InChIInChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5+/m0/s1
InChIKeyLHFJOBMTAJJOTB-JLAZNSOCSA-N
XLogP-1.53
TPSA106.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one (CID 5483640) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one is [O]C1=C(O)C(=O)[C@@H]([C@@H](O)CO)O1.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one?
The InChIKey is LHFJOBMTAJJOTB-JLAZNSOCSA-N. The full InChI is InChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one has a molecular weight of 175.12 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one is sourced from PubChem (CID 5483640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).