(2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol

C12H22O5 — CID 11831714

IUPAC(2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](C2(O)CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H22O5/c1-7-8(13)9(14)10(15)11(17-7)12(16)5-3-2-4-6-12/h7-11,13-16H,2-6H2,1H3/t7-,8+,9+,10-,11+/m0/s1
InChIKeyDOPXNNOBSARDQT-UNQZSWDGSA-N
MW246.30 g/mol
LogP-0.45
Rot. Bonds1

About (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol

(2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol (PubChem CID 11831714) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol
PubChem CID11831714
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](C2(O)CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H22O5/c1-7-8(13)9(14)10(15)11(17-7)12(16)5-3-2-4-6-12/h7-11,13-16H,2-6H2,1H3/t7-,8+,9+,10-,11+/m0/s1
InChIKeyDOPXNNOBSARDQT-UNQZSWDGSA-N
XLogP-0.45
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101088443
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
[4,5-dihydroxy-6-(1-hydroxycyclopentyl)oxan-2-yl] N'-methylcarbamimidothioate
CID 123160803
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
1-(5,6-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexan-1-ol
CID 20746701
CID 175746637
CID 175746637

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol (CID 11831714) is (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol is C[C@@H]1O[C@@H](C2(O)CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol?
The InChIKey is DOPXNNOBSARDQT-UNQZSWDGSA-N. The full InChI is InChI=1S/C12H22O5/c1-7-8(13)9(14)10(15)11(17-7)12(16)5-3-2-4-6-12/h7-11,13-16H,2-6H2,1H3/t7-,8+,9+,10-,11+/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol?
(2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol has a molecular weight of 246.30 g/mol, XLogP of -0.45, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-2-(1-hydroxycyclohexyl)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 11831714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).