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

C10H20O6 — CID 68985640

IUPAC(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol
SMILESCO[C@]1(C)[C@@](C)(O)[C@H](O)[C@@H](CO)O[C@@]1(C)O
InChIInChI=1S/C10H20O6/c1-8(13)7(12)6(5-11)16-10(3,14)9(8,2)15-4/h6-7,11-14H,5H2,1-4H3/t6-,7-,8+,9-,10-/m1/s1
InChIKeyLCZLXQCUXWQNGQ-HOTMZDKISA-N
MW236.26 g/mol
LogP-1.40
Rot. Bonds2

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

(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol (PubChem CID 68985640) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol
PubChem CID68985640
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol
SMILESCO[C@]1(C)[C@@](C)(O)[C@H](O)[C@@H](CO)O[C@@]1(C)O
InChIInChI=1S/C10H20O6/c1-8(13)7(12)6(5-11)16-10(3,14)9(8,2)15-4/h6-7,11-14H,5H2,1-4H3/t6-,7-,8+,9-,10-/m1/s1
InChIKeyLCZLXQCUXWQNGQ-HOTMZDKISA-N
XLogP-1.40
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-3,4-dimethyloxane-3,4,5-triol
CID 22887228
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol
CID 58212467
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
CID 175505706
(3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol
CID 141024747
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 58701530
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 57317456
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 11513798

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol (CID 68985640) is (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol is CO[C@]1(C)[C@@](C)(O)[C@H](O)[C@@H](CO)O[C@@]1(C)O.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol?
The InChIKey is LCZLXQCUXWQNGQ-HOTMZDKISA-N. The full InChI is InChI=1S/C10H20O6/c1-8(13)7(12)6(5-11)16-10(3,14)9(8,2)15-4/h6-7,11-14H,5H2,1-4H3/t6-,7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol?
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol has a molecular weight of 236.26 g/mol, XLogP of -1.40, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol is sourced from PubChem (CID 68985640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).