(1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol

C9H16O5 — CID 23244894

IUPAC(1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol
SMILESC[C@]1(O)[C@@H]2OCC[C@@](O)(C2O)[C@@H]1CO
InChIInChI=1S/C9H16O5/c1-8(12)5(4-10)9(13)2-3-14-7(8)6(9)11/h5-7,10-13H,2-4H2,1H3/t5-,6?,7-,8-,9+/m1/s1
InChIKeyJOLHRYIDIFXEIR-DUULYHEGSA-N
MW204.22 g/mol
LogP-1.76
Rot. Bonds1

About (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol

(1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol (PubChem CID 23244894) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol.

Molecular Properties

Compound Name(1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol
PubChem CID23244894
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol
SMILESC[C@]1(O)[C@@H]2OCC[C@@](O)(C2O)[C@@H]1CO
InChIInChI=1S/C9H16O5/c1-8(12)5(4-10)9(13)2-3-14-7(8)6(9)11/h5-7,10-13H,2-4H2,1H3/t5-,6?,7-,8-,9+/m1/s1
InChIKeyJOLHRYIDIFXEIR-DUULYHEGSA-N
XLogP-1.76
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol with MolForge

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Related Compounds

(1R,5S,6R,7R,8R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol
CID 11030922
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol
CID 99952296
(3R,4R)-2,4-dimethyloxane-3,4-diol
CID 89038493
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]decan-10-one
CID 559997
[(1S,3R)-1,3-dimethyl-2-bicyclo[1.1.0]butanyl]methanol
CID 130694554
(1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol
CID 130940266
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
[(1S,3S)-2,2-dichloro-3-methyl-3-(trifluoromethyl)cyclopropyl]methanol
CID 54007933

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol?
The IUPAC name of (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol (CID 23244894) is (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol.
What is the SMILES notation for (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol?
The canonical SMILES for (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol is C[C@]1(O)[C@@H]2OCC[C@@](O)(C2O)[C@@H]1CO.
What is the InChIKey of (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol?
The InChIKey is JOLHRYIDIFXEIR-DUULYHEGSA-N. The full InChI is InChI=1S/C9H16O5/c1-8(12)5(4-10)9(13)2-3-14-7(8)6(9)11/h5-7,10-13H,2-4H2,1H3/t5-,6?,7-,8-,9+/m1/s1.
What are the key properties of (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol?
(1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol has a molecular weight of 204.22 g/mol, XLogP of -1.76, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7R)-6-(hydroxymethyl)-7-methyl-2-oxabicyclo[3.2.1]octane-5,7,8-triol is sourced from PubChem (CID 23244894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).