(2R,3S,6R)-6-methyloxane-2,3-diol

C6H12O3 — CID 101435128

IUPAC(2R,3S,6R)-6-methyloxane-2,3-diol
SMILESC[C@@H]1CC[C@H](O)[C@H](O)O1
InChIInChI=1S/C6H12O3/c1-4-2-3-5(7)6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1
InChIKeyOBORZISQVTZVGX-NGJCXOISSA-N
MW132.16 g/mol
LogP-0.14
Rot. Bonds

About (2R,3S,6R)-6-methyloxane-2,3-diol

(2R,3S,6R)-6-methyloxane-2,3-diol (PubChem CID 101435128) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2R,3S,6R)-6-methyloxane-2,3-diol.

Molecular Properties

Compound Name(2R,3S,6R)-6-methyloxane-2,3-diol
PubChem CID101435128
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2R,3S,6R)-6-methyloxane-2,3-diol
SMILESC[C@@H]1CC[C@H](O)[C@H](O)O1
InChIInChI=1S/C6H12O3/c1-4-2-3-5(7)6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1
InChIKeyOBORZISQVTZVGX-NGJCXOISSA-N
XLogP-0.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,5-dimethyloxolane
CID 118613003
(2R,5S)-5-methyloxolan-2-ol
CID 23253384
ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol
CID 144590904
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
(2S,5S)-5-methyloxolan-2-amine
CID 166109571
1-[(2R,3S,6S)-3-hydroxy-6-methyloxan-2-yl]propan-2-one
CID 11008386
6-(hydroxymethyl)oxane-2,3-diol
CID 22415851
4-methyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-ol
CID 103137306
(2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium
CID 142050616
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81329769

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-methyloxane-2,3-diol?
The IUPAC name of (2R,3S,6R)-6-methyloxane-2,3-diol (CID 101435128) is (2R,3S,6R)-6-methyloxane-2,3-diol.
What is the SMILES notation for (2R,3S,6R)-6-methyloxane-2,3-diol?
The canonical SMILES for (2R,3S,6R)-6-methyloxane-2,3-diol is C[C@@H]1CC[C@H](O)[C@H](O)O1.
What is the InChIKey of (2R,3S,6R)-6-methyloxane-2,3-diol?
The InChIKey is OBORZISQVTZVGX-NGJCXOISSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-2-3-5(7)6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1.
What are the key properties of (2R,3S,6R)-6-methyloxane-2,3-diol?
(2R,3S,6R)-6-methyloxane-2,3-diol has a molecular weight of 132.16 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-methyloxane-2,3-diol is sourced from PubChem (CID 101435128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).