(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol

C6H12O5 — CID 131201868

IUPAC(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
SMILESOC[C@H]1O[C@@](O)(CO)C[C@@H]1O
InChIInChI=1S/C6H12O5/c7-2-5-4(9)1-6(10,3-8)11-5/h4-5,7-10H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyFSOZSKCETOKJSE-KVQBGUIXSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds2

About (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol

(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol (PubChem CID 131201868) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
PubChem CID131201868
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
SMILESOC[C@H]1O[C@@](O)(CO)C[C@@H]1O
InChIInChI=1S/C6H12O5/c7-2-5-4(9)1-6(10,3-8)11-5/h4-5,7-10H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyFSOZSKCETOKJSE-KVQBGUIXSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-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

(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 89126678
(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 11062955
(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol
CID 69088897
(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 18666633
(2S,4S,5R)-5-(hydroxymethyl)-2-[(2-nitrophenyl)methyl]oxolane-2,4-diol
CID 57193130
[(3S,4S)-3,4,6-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 11701641
2,3-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
CID 126761088
(2R,3S,5R)-5-(4-chlorophenyl)-2-(hydroxymethyl)-5-(iodomethyl)oxolan-3-ol
CID 11245609
2,4-dihydroxy-6-(hydroxymethyl)-5-(hydroxymethylamino)oxane-2-carboxylic acid
CID 118934558
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2'R,3S,3'S)-2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437622
2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437645

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol?
The IUPAC name of (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol (CID 131201868) is (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol.
What is the SMILES notation for (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol?
The canonical SMILES for (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol is OC[C@H]1O[C@@](O)(CO)C[C@@H]1O.
What is the InChIKey of (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol?
The InChIKey is FSOZSKCETOKJSE-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H12O5/c7-2-5-4(9)1-6(10,3-8)11-5/h4-5,7-10H,1-3H2/t4-,5+,6+/m0/s1.
What are the key properties of (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol?
(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol is sourced from PubChem (CID 131201868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).