(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol

C9H18O3 — CID 21122764

IUPAC(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
SMILESCOC1O[C@H](C)[C@@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C9H18O3/c1-5-7(3)12-9(11-4)6(2)8(5)10/h5-10H,1-4H3/t5-,6+,7-,8+,9?/m1/s1
InChIKeyNHTOFHVXFDQMGQ-LOHXVAINSA-N
MW174.24 g/mol
LogP1.01
Rot. Bonds1

About (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol

(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol (PubChem CID 21122764) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol.

Molecular Properties

Compound Name(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
PubChem CID21122764
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
SMILESCOC1O[C@H](C)[C@@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C9H18O3/c1-5-7(3)12-9(11-4)6(2)8(5)10/h5-10H,1-4H3/t5-,6+,7-,8+,9?/m1/s1
InChIKeyNHTOFHVXFDQMGQ-LOHXVAINSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol with MolForge

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Related Compounds

(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
(2R,3R,4R,5R,6R)-2-[3-[(2R,3R,4R,5R,6R)-4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl]propyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 24763935
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(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
[(5S)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]-trimethylazanium;[(5S)-2-methoxy-3,5,6-trimethyloxan-4-yl]-trimethylazanium
CID 162220117
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,3R,4R,5R,6S)-2-methoxy-3,5-dimethyl-6-phenyloxan-4-ol
CID 101454315
(5R)-3,5,6-trimethyloxane-2,4-diol
CID 59897700
(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol
CID 130765052

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol?
The IUPAC name of (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol (CID 21122764) is (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol.
What is the SMILES notation for (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol?
The canonical SMILES for (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol is COC1O[C@H](C)[C@@H](C)[C@H](O)[C@@H]1C.
What is the InChIKey of (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol?
The InChIKey is NHTOFHVXFDQMGQ-LOHXVAINSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-7(3)12-9(11-4)6(2)8(5)10/h5-10H,1-4H3/t5-,6+,7-,8+,9?/m1/s1.
What are the key properties of (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol?
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol has a molecular weight of 174.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol is sourced from PubChem (CID 21122764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).