(3S,4S,6R)-6-methyloxane-3,4-diol

C6H12O3 — CID 5324484

IUPAC(3S,4S,6R)-6-methyloxane-3,4-diol
SMILESC[C@@H]1C[C@H](O)[C@@H](O)CO1
InChIInChI=1S/C6H12O3/c1-4-2-5(7)6(8)3-9-4/h4-8H,2-3H2,1H3/t4-,5+,6+/m1/s1
InChIKeyBIWRLNLHQRIBOB-SRQIZXRXSA-N
MW132.16 g/mol
LogP-0.48
Rot. Bonds

About (3S,4S,6R)-6-methyloxane-3,4-diol

(3S,4S,6R)-6-methyloxane-3,4-diol (PubChem CID 5324484) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S,4S,6R)-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name(3S,4S,6R)-6-methyloxane-3,4-diol
PubChem CID5324484
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3S,4S,6R)-6-methyloxane-3,4-diol
SMILESC[C@@H]1C[C@H](O)[C@@H](O)CO1
InChIInChI=1S/C6H12O3/c1-4-2-5(7)6(8)3-9-4/h4-8H,2-3H2,1H3/t4-,5+,6+/m1/s1
InChIKeyBIWRLNLHQRIBOB-SRQIZXRXSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64960
3-Hexyloxypropylene glycol
CID 11229094
Tetrahydropyran-2-methanol
CID 7524
1,5-anhydro-D-mannitol
CID 445184
(2R,3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 444915
(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 445257
(2R,3S,4S,5R)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 445914
GlyTouCan:G62741TN
CID 447053
Glucosyl fluoride
CID 150967
Hexane-1,3,4-triol
CID 13023573
(2S,3S)-(-)-3-Propyloxiranemethanol
CID 10313120
(2R,3R)-(+)-3-Propyloxiranemethanol
CID 11073386

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-6-methyloxane-3,4-diol?
The IUPAC name of (3S,4S,6R)-6-methyloxane-3,4-diol (CID 5324484) is (3S,4S,6R)-6-methyloxane-3,4-diol.
What is the SMILES notation for (3S,4S,6R)-6-methyloxane-3,4-diol?
The canonical SMILES for (3S,4S,6R)-6-methyloxane-3,4-diol is C[C@@H]1C[C@H](O)[C@@H](O)CO1.
What is the InChIKey of (3S,4S,6R)-6-methyloxane-3,4-diol?
The InChIKey is BIWRLNLHQRIBOB-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-2-5(7)6(8)3-9-4/h4-8H,2-3H2,1H3/t4-,5+,6+/m1/s1.
What are the key properties of (3S,4S,6R)-6-methyloxane-3,4-diol?
(3S,4S,6R)-6-methyloxane-3,4-diol has a molecular weight of 132.16 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6R)-6-methyloxane-3,4-diol is sourced from PubChem (CID 5324484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).