(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol

C7H14O4 — CID 12775768

IUPAC(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@@H]1C[C@H](O)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C7H14O4/c1-4-7(9)5(8)3-6(10-2)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1
InChIKeyQNKOVWCOVLYPKR-AXMZGBSTSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds1

About (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol

(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol (PubChem CID 12775768) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
PubChem CID12775768
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@@H]1C[C@H](O)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C7H14O4/c1-4-7(9)5(8)3-6(10-2)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1
InChIKeyQNKOVWCOVLYPKR-AXMZGBSTSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol with MolForge

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Related Compounds

6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl] hypofluorite
CID 67929975
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-ol
CID 162926783
[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577436
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
(4S,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 91853555
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol?
The IUPAC name of (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol (CID 12775768) is (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol is CO[C@@H]1C[C@H](O)[C@@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol?
The InChIKey is QNKOVWCOVLYPKR-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-7(9)5(8)3-6(10-2)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol?
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 12775768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).