(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol

C6H12O4 — CID 58502500

IUPAC(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
SMILESC[C@@H]1OCC(O)(CO)[C@@H]1O
InChIInChI=1S/C6H12O4/c1-4-5(8)6(9,2-7)3-10-4/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?/m0/s1
InChIKeyKBBDENCHHNISJT-YRZWDFBDSA-N
MW148.16 g/mol
LogP-1.51
Rot. Bonds1

About (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol

(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol (PubChem CID 58502500) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
PubChem CID58502500
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
SMILESC[C@@H]1OCC(O)(CO)[C@@H]1O
InChIInChI=1S/C6H12O4/c1-4-5(8)6(9,2-7)3-10-4/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?/m0/s1
InChIKeyKBBDENCHHNISJT-YRZWDFBDSA-N
XLogP-1.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol 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

(2S,4S)-4-[(2S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-methyloxane-3,5-diol
CID 169040223
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
(3S,4R)-4-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol
CID 170441583
2-(3-hydroxy-4,5-dimethyloxolan-3-yl)acetic acid
CID 165438430
(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
CID 54199383
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 637312
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 101252067
1-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90673981
(2S,3R,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 101357666
6-ethoxy-3-(2-hydroxyethyl)-5-methyloxane-3,4-diol
CID 91186946
(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol
CID 54195839
(3R,4R)-2,4-dimethyloxane-3,4-diol
CID 89038493

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol (CID 58502500) is (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol is C[C@@H]1OCC(O)(CO)[C@@H]1O.
What is the InChIKey of (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol?
The InChIKey is KBBDENCHHNISJT-YRZWDFBDSA-N. The full InChI is InChI=1S/C6H12O4/c1-4-5(8)6(9,2-7)3-10-4/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?/m0/s1.
What are the key properties of (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol?
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol has a molecular weight of 148.16 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol is sourced from PubChem (CID 58502500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).