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

C8H16O5 — CID 131133904

IUPAC(2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol
SMILESCO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C8H16O5/c1-4-5(9)6(10)8(2,11)7(12-3)13-4/h4-7,9-11H,1-3H3/t4-,5+,6+,7-,8-/m0/s1
InChIKeyOYPVGCGYFPCHKL-SHGPDSBTSA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds1

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

(2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol (PubChem CID 131133904) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol
PubChem CID131133904
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol
SMILESCO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C8H16O5/c1-4-5(9)6(10)8(2,11)7(12-3)13-4/h4-7,9-11H,1-3H3/t4-,5+,6+,7-,8-/m0/s1
InChIKeyOYPVGCGYFPCHKL-SHGPDSBTSA-N
XLogP-1.15
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol
CID 134854506
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol
CID 102307677
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
CID 70800080
(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol
CID 130765052
2,4-dimethyloxetane-2,3-diol
CID 142770026
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(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
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-3,4-dimethyloxane-3,4,5-triol
CID 22887228

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol (CID 131133904) is (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol is CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@]1(C)O.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol?
The InChIKey is OYPVGCGYFPCHKL-SHGPDSBTSA-N. The full InChI is InChI=1S/C8H16O5/c1-4-5(9)6(10)8(2,11)7(12-3)13-4/h4-7,9-11H,1-3H3/t4-,5+,6+,7-,8-/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol?
(2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol is sourced from PubChem (CID 131133904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).