(2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid

C6H8O6 — CID 148624129

IUPAC(2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)[C@@H](O)C(=O)O1
InChIInChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4+/m0/s1
InChIKeyNGVZHPFAGSOCAF-YVZJFKFKSA-N
MW176.12 g/mol
LogP-1.89
Rot. Bonds1

About (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid

(2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid (PubChem CID 148624129) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid
PubChem CID148624129
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name(2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)[C@@H](O)C(=O)O1
InChIInChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4+/m0/s1
InChIKeyNGVZHPFAGSOCAF-YVZJFKFKSA-N
XLogP-1.89
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-4-propyloxolane-2-carboxylic acid
CID 67541536
4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid
CID 175803651
4-oxooxetane-2-carboxylic acid
CID 55299922
(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
CID 162965017
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 101368145
7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 122235955
(1S,4R,5R)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
CID 46936953
carbonic acid;3,4-dihydroxyoxolane-2,5-dione
CID 158265836
4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 118519228
4-phenyloxetane-2-carboxylic acid
CID 20744932
(2R)-4,6-dioxooxane-2-carboxylic acid
CID 124707644
(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid
CID 129375031

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid?
The IUPAC name of (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid (CID 148624129) is (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid?
The canonical SMILES for (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)[C@@H](O)C(=O)O1.
What is the InChIKey of (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid?
The InChIKey is NGVZHPFAGSOCAF-YVZJFKFKSA-N. The full InChI is InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4+/m0/s1.
What are the key properties of (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid?
(2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid has a molecular weight of 176.12 g/mol, XLogP of -1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-4,5-dihydroxy-6-oxooxane-2-carboxylic acid is sourced from PubChem (CID 148624129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).