(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol

C8H16O4 — CID 130891159

IUPAC(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
SMILESCO[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1C
InChIInChI=1S/C8H16O4/c1-4-6(9)7(10)5(2)12-8(4)11-3/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m0/s1
InChIKeyGDACGTIWNGUHDS-RLMOJYMMSA-N
MW176.21 g/mol
LogP-0.26
Rot. Bonds1

About (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol

(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol (PubChem CID 130891159) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
PubChem CID130891159
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
SMILESCO[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1C
InChIInChI=1S/C8H16O4/c1-4-6(9)7(10)5(2)12-8(4)11-3/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m0/s1
InChIKeyGDACGTIWNGUHDS-RLMOJYMMSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325
2-methoxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 14212572
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol
CID 130765052
(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol
CID 57272442
(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol
CID 122522436
[(5S)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]-trimethylazanium;[(5S)-2-methoxy-3,5,6-trimethyloxan-4-yl]-trimethylazanium
CID 162220117

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol (CID 130891159) is (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol is CO[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1C.
What is the InChIKey of (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol?
The InChIKey is GDACGTIWNGUHDS-RLMOJYMMSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-6(9)7(10)5(2)12-8(4)11-3/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol?
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol has a molecular weight of 176.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol is sourced from PubChem (CID 130891159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).