(2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid

C6H6O7 — CID 6481826

IUPAC(2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
SMILESO=C1C[C@](O)(C(=O)O)[C@@H](C(=O)O)O1
InChIInChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6-/m1/s1
InChIKeyPFHZIWAVXDSFTB-AWFVSMACSA-N
MW190.11 g/mol
LogP-1.80
Rot. Bonds2

About (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid

(2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid (PubChem CID 6481826) has the molecular formula C6H6O7 and a molecular weight of 190.11 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
PubChem CID6481826
Molecular FormulaC6H6O7
Molecular Weight190.11 g/mol
Exact Mass190.01
IUPAC Name(2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
SMILESO=C1C[C@](O)(C(=O)O)[C@@H](C(=O)O)O1
InChIInChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6-/m1/s1
InChIKeyPFHZIWAVXDSFTB-AWFVSMACSA-N
XLogP-1.80
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Glyceryl monocitrate
CID 3033853
1-Isopropyl citrate
CID 9816081
Triisopropyl Citrate
CID 9905074
Tetrahydro-5-oxofuran-2,3-dicarboxylic acid
CID 98259
Hydroxycitric acid lactone
CID 9991606
2-Isopropyl citrate
CID 57483158
2-Hydroxy-1,2,3-propanetricarboxylic acid 2-methyl ester
CID 12566215
(2S,3R)-2-Carboxymethyl-oxirane-2,3-dicarboxylic acid
CID 1427549
Y-lactone 2
CID 21674240
2-C-Methyl-D-ribono-1,4-lactone
CID 11805069
2-carboxy-L-xylonolactone
CID 90658445
2-carboxy-L-lyxonolactone
CID 154586189

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid?
The IUPAC name of (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid (CID 6481826) is (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid is O=C1C[C@](O)(C(=O)O)[C@@H](C(=O)O)O1.
What is the InChIKey of (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid?
The InChIKey is PFHZIWAVXDSFTB-AWFVSMACSA-N. The full InChI is InChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6-/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid?
(2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid has a molecular weight of 190.11 g/mol, XLogP of -1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid is sourced from PubChem (CID 6481826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).