(2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C6H8O6 — CID 54690394

IUPAC(2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@@H]([C@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1
InChIKeyCIWBSHSKHKDKBQ-MVHIGOERSA-N
MW176.12 g/mol
LogP-1.41
Rot. Bonds2

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

(2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54690394) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54690394
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name(2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@@H]([C@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1
InChIKeyCIWBSHSKHKDKBQ-MVHIGOERSA-N
XLogP-1.41
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

L-Ascorbic Acid
CID 54670067
Sodium Ascorbate
CID 23667548
Erythorbic Acid
CID 54675810
Calcium Ascorbate
CID 54740489
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Ferrous Ascorbate
CID 86763295
Sodium Erythorbate
CID 23683938
Ascorbate
CID 54679076
Magnesium Ascorbate
CID 54682511
Calcium ascorbate dihydrate
CID 54682536
Manganese ascorbate
CID 90479050
Zinc Ascorbate
CID 91667835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 54690394) is (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is O=C1O[C@@H]([C@H](O)CO)C(O)=C1O.
What is the InChIKey of (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is CIWBSHSKHKDKBQ-MVHIGOERSA-N. The full InChI is InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
(2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 176.12 g/mol, XLogP of -1.41, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54690394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).