(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol

C6H12O5 — CID 57267196

IUPAC(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
SMILESC[C@]1(O)O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(2-7)11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5?,6+/m1/s1
InChIKeyOWUVXYXYMJSAKF-JTSAIASGSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds1

About (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol

(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol (PubChem CID 57267196) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
PubChem CID57267196
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
SMILESC[C@]1(O)O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(2-7)11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5?,6+/m1/s1
InChIKeyOWUVXYXYMJSAKF-JTSAIASGSA-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

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Related Compounds

(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
CID 172738013
(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
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 176987115
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
[(2R,3S,4S)-3,4,5-trihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 135075716

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol?
The IUPAC name of (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol (CID 57267196) is (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol.
What is the SMILES notation for (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol?
The canonical SMILES for (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol is C[C@]1(O)O[C@H](CO)[C@H](O)C1O.
What is the InChIKey of (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol?
The InChIKey is OWUVXYXYMJSAKF-JTSAIASGSA-N. The full InChI is InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(2-7)11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5?,6+/m1/s1.
What are the key properties of (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol?
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-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 (2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol is sourced from PubChem (CID 57267196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).