(2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid

C10H16O6 — CID 10585644

IUPAC(2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid
SMILESC[C@@H]1[C@@H](O)[C@](C)(CC(=O)O)O[C@]1(C)C(=O)O
InChIInChI=1S/C10H16O6/c1-5-7(13)9(2,4-6(11)12)16-10(5,3)8(14)15/h5,7,13H,4H2,1-3H3,(H,11,12)(H,14,15)/t5-,7-,9+,10+/m1/s1
InChIKeyKOSPSWZDXZQZAI-JBABRTIHSA-N
MW232.23 g/mol
LogP0.09
Rot. Bonds3

About (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid

(2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid (PubChem CID 10585644) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid
PubChem CID10585644
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid
SMILESC[C@@H]1[C@@H](O)[C@](C)(CC(=O)O)O[C@]1(C)C(=O)O
InChIInChI=1S/C10H16O6/c1-5-7(13)9(2,4-6(11)12)16-10(5,3)8(14)15/h5,7,13H,4H2,1-3H3,(H,11,12)(H,14,15)/t5-,7-,9+,10+/m1/s1
InChIKeyKOSPSWZDXZQZAI-JBABRTIHSA-N
XLogP0.09
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-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

4,5-Dicarboxy-gamma-pentadecanolactone
CID 316426
Supiculisporic Acid
CID 73448
5-(Carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
CID 72789760
Spiculisporic acid C
CID 162923866
(2R,3S,4S)-2-dodecyl-3,4-dihydroxy-5-oxooxolane-2,3-dicarboxylic acid
CID 11451615
2-(3,4-Dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl 5-cyclohexylpentanoate
CID 91895601
(5R,6S)-9-Dodecyl-6-hydroxymethyl-1,7-dioxa-spiro[4.4]nonane-2,8-dione
CID 44276150
(2S)-2-[(2S,3S,5R)-3,5-diethyl-5-pentyloxolan-2-yl]-2-hydroxyacetic acid
CID 127043555
spiculisporic acid D
CID 162857638
methyl (3R,4R)-4-[[(2R,4R,5R)-4-ethyl-5-[(1S)-1-hydroxypropyl]-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate
CID 10314595
(2R,3R,5S)-5-(carboxymethyl)-2,3,5-trimethyloxolane-2-carboxylic acid
CID 10965923
(3S,5S)-5-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methylheptyl]oxolan-2-one
CID 23427905

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid?
The IUPAC name of (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid (CID 10585644) is (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid?
The canonical SMILES for (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid is C[C@@H]1[C@@H](O)[C@](C)(CC(=O)O)O[C@]1(C)C(=O)O.
What is the InChIKey of (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid?
The InChIKey is KOSPSWZDXZQZAI-JBABRTIHSA-N. The full InChI is InChI=1S/C10H16O6/c1-5-7(13)9(2,4-6(11)12)16-10(5,3)8(14)15/h5,7,13H,4H2,1-3H3,(H,11,12)(H,14,15)/t5-,7-,9+,10+/m1/s1.
What are the key properties of (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid?
(2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid has a molecular weight of 232.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid is sourced from PubChem (CID 10585644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).