(2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one

C6H6O6 — CID 89034027

IUPAC(2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one
SMILESO=C1O[C@H](C(=O)CO)C(O)=C1O
InChIInChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h5,7,9-10H,1H2/t5-/m1/s1
InChIKeyGSYSKCOZQNZRHU-RXMQYKEDSA-N
MW174.11 g/mol
LogP-1.20
Rot. Bonds2

About (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one

(2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one (PubChem CID 89034027) has the molecular formula C6H6O6 and a molecular weight of 174.11 g/mol. Its IUPAC name is (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one
PubChem CID89034027
Molecular FormulaC6H6O6
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name(2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one
SMILESO=C1O[C@H](C(=O)CO)C(O)=C1O
InChIInChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h5,7,9-10H,1H2/t5-/m1/s1
InChIKeyGSYSKCOZQNZRHU-RXMQYKEDSA-N
XLogP-1.20
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

L-Ascorbic Acid
CID 54670067
Sodium Ascorbate
CID 23667548
Erythorbic Acid
CID 54675810
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Sodium Erythorbate
CID 23683938
Ascorbate
CID 54679076
D-Ascorbic acid
CID 54690394
L-isoascorbic acid
CID 54676315
Potassium ascorbate
CID 23687519
Npc119107
CID 54676536
L-Ascorbic acid, sodium salt
CID 23424000
Sodium erythorbate monohydrate
CID 23696296

Frequently Asked Questions

What is the IUPAC name of (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one?
The IUPAC name of (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one (CID 89034027) is (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one?
The canonical SMILES for (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one is O=C1O[C@H](C(=O)CO)C(O)=C1O.
What is the InChIKey of (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one?
The InChIKey is GSYSKCOZQNZRHU-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h5,7,9-10H,1H2/t5-/m1/s1.
What are the key properties of (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one?
(2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one has a molecular weight of 174.11 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,4-dihydroxy-2-(2-hydroxyacetyl)-2H-furan-5-one is sourced from PubChem (CID 89034027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).