(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol

C7H14O4 — CID 21158721

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

About (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol

(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol (PubChem CID 21158721) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol.

Molecular Properties

Compound Name(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol
PubChem CID21158721
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol
SMILESCO[C@H]1[C@H](C)O[C@H](O)C[C@@H]1O
InChIInChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1
InChIKeyCDRBUGSWTNDUSM-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

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Related Compounds

(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
(4S,5S,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 91858311
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
ethane;6-(hydroxymethyl)-3-methoxy-2-methyloxan-4-ol;methanethioic S-acid
CID 144720636
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
CID 10866852
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol?
The IUPAC name of (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol (CID 21158721) is (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol.
What is the SMILES notation for (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol?
The canonical SMILES for (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol is CO[C@H]1[C@H](C)O[C@H](O)C[C@@H]1O.
What is the InChIKey of (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol?
The InChIKey is CDRBUGSWTNDUSM-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol?
(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-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,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol is sourced from PubChem (CID 21158721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).