(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol

C8H16O4 — CID 165082057

IUPAC(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
SMILESC[C@@H]1[C@@H](O)[C@H](C)[C@H](O)O[C@H]1CO
InChIInChI=1S/C8H16O4/c1-4-6(3-9)12-8(11)5(2)7(4)10/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8+/m0/s1
InChIKeyMCMYSIRYFBHIJI-QYYLWSOASA-N
MW176.21 g/mol
LogP-0.67
Rot. Bonds1

About (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol

(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol (PubChem CID 165082057) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
PubChem CID165082057
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
SMILESC[C@@H]1[C@@H](O)[C@H](C)[C@H](O)O[C@H]1CO
InChIInChI=1S/C8H16O4/c1-4-6(3-9)12-8(11)5(2)7(4)10/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8+/m0/s1
InChIKeyMCMYSIRYFBHIJI-QYYLWSOASA-N
XLogP-0.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 90196477
(4R,6R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 163424512
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
CID 90247742
(2S,3R,5S)-6-(hydroxymethyl)-4-methyloxane-2,3,5-triol
CID 148775123
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
5-ethyl-4-methyloxolane-2,3-diol
CID 21338247
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(4R,5R)-4-deuterio-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 158521048

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol (CID 165082057) is (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol is C[C@@H]1[C@@H](O)[C@H](C)[C@H](O)O[C@H]1CO.
What is the InChIKey of (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol?
The InChIKey is MCMYSIRYFBHIJI-QYYLWSOASA-N. The full InChI is InChI=1S/C8H16O4/c1-4-6(3-9)12-8(11)5(2)7(4)10/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8+/m0/s1.
What are the key properties of (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol?
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol has a molecular weight of 176.21 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol is sourced from PubChem (CID 165082057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).