(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol

C6H12O5 — CID 70641511

IUPAC(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)CC(O)[C@@H]1O
InChIInChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3?,4-,5?,6+/m1/s1
InChIKeyPMMURAAUARKVCB-IJBOSRHISA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds1

About (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol

(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 70641511) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID70641511
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)CC(O)[C@@H]1O
InChIInChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3?,4-,5?,6+/m1/s1
InChIKeyPMMURAAUARKVCB-IJBOSRHISA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
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 (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol 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

(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol;phosphono dihydrogen phosphate
CID 158200555
ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
CID 145018788
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
CID 156740552
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 123931534

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 70641511) is (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1OC(O)CC(O)[C@@H]1O.
What is the InChIKey of (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is PMMURAAUARKVCB-IJBOSRHISA-N. The full InChI is InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3?,4-,5?,6+/m1/s1.
What are the key properties of (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol?
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 70641511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).