(4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid

C4H6O6 — CID 45084727

IUPAC(4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid
SMILESO=C(O)C1O[C@H](O)[C@@H](O)O1
InChIInChI=1S/C4H6O6/c5-1(6)4-9-2(7)3(8)10-4/h2-4,7-8H,(H,5,6)/t2-,3-/m0/s1
InChIKeyDKYRLITYAZMMBF-HRFVKAFMSA-N
MW150.09 g/mol
LogP-1.92
Rot. Bonds1

About (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid

(4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid (PubChem CID 45084727) has the molecular formula C4H6O6 and a molecular weight of 150.09 g/mol. Its IUPAC name is (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid
PubChem CID45084727
Molecular FormulaC4H6O6
Molecular Weight150.09 g/mol
Exact Mass150.02
IUPAC Name(4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid
SMILESO=C(O)C1O[C@H](O)[C@@H](O)O1
InChIInChI=1S/C4H6O6/c5-1(6)4-9-2(7)3(8)10-4/h2-4,7-8H,(H,5,6)/t2-,3-/m0/s1
InChIKeyDKYRLITYAZMMBF-HRFVKAFMSA-N
XLogP-1.92
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
9-methyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-4,11-dicarboxylic acid
CID 166083230
CID 173010882
CID 173010882
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589
(3S)-3-(3-hydroxyoxiran-2-yl)-3-(methylamino)propanoic acid
CID 155198863
trisodium;hydride;oxirane-2,3-dicarboxylic acid
CID 175118143
12-formyloxy-7-hydroxy-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane-4-carboxylic acid
CID 171448374
(2S,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxane-2-carboxylic acid
CID 129099905

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid?
The IUPAC name of (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid (CID 45084727) is (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid.
What is the SMILES notation for (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid?
The canonical SMILES for (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid is O=C(O)C1O[C@H](O)[C@@H](O)O1.
What is the InChIKey of (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid?
The InChIKey is DKYRLITYAZMMBF-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H6O6/c5-1(6)4-9-2(7)3(8)10-4/h2-4,7-8H,(H,5,6)/t2-,3-/m0/s1.
What are the key properties of (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid?
(4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid has a molecular weight of 150.09 g/mol, XLogP of -1.92, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylic acid is sourced from PubChem (CID 45084727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).