(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol

C7H14O4 — CID 130831748

IUPAC(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
SMILESCO[C@H]1[C@@H](O)[C@@H](C)OC[C@@H]1O
InChIInChI=1S/C7H14O4/c1-4-6(9)7(10-2)5(8)3-11-4/h4-9H,3H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChIKeyWAACXOYYVTUOEO-JRTVQGFMSA-N
MW162.18 g/mol
LogP-0.86
Rot. Bonds1

About (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol

(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol (PubChem CID 130831748) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
PubChem CID130831748
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
SMILESCO[C@H]1[C@@H](O)[C@@H](C)OC[C@@H]1O
InChIInChI=1S/C7H14O4/c1-4-6(9)7(10-2)5(8)3-11-4/h4-9H,3H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChIKeyWAACXOYYVTUOEO-JRTVQGFMSA-N
XLogP-0.86
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 ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,5-dimethyloxan-3-ol
CID 57076356
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol
CID 59491822
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
(2R,3R,4R,5S)-4-methoxy-2-(methoxymethyl)oxane-3,5-diol
CID 54140471
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol?
The IUPAC name of (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol (CID 130831748) is (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol.
What is the SMILES notation for (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol?
The canonical SMILES for (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol is CO[C@H]1[C@@H](O)[C@@H](C)OC[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol?
The InChIKey is WAACXOYYVTUOEO-JRTVQGFMSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-6(9)7(10-2)5(8)3-11-4/h4-9H,3H2,1-2H3/t4-,5+,6+,7-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol?
(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol has a molecular weight of 162.18 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol is sourced from PubChem (CID 130831748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).