(1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

C8H12O6 — CID 11333170

IUPAC(1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
SMILESCOC1[C@H]2OC3OC([C@@H](O)[C@H]1O3)[C@@H]2O
InChIInChI=1S/C8H12O6/c1-11-7-5-2(9)4-3(10)6(7)14-8(12-4)13-5/h2-10H,1H3/t2-,3+,4?,5-,6+,7?,8?
InChIKeyMOXHWXBTMPIEGQ-BHURQIRWSA-N
MW204.18 g/mol
LogP-1.80
Rot. Bonds1

About (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

(1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol (PubChem CID 11333170) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol.

Molecular Properties

Compound Name(1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
PubChem CID11333170
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name(1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
SMILESCOC1[C@H]2OC3OC([C@@H](O)[C@H]1O3)[C@@H]2O
InChIInChI=1S/C8H12O6/c1-11-7-5-2(9)4-3(10)6(7)14-8(12-4)13-5/h2-10H,1H3/t2-,3+,4?,5-,6+,7?,8?
InChIKeyMOXHWXBTMPIEGQ-BHURQIRWSA-N
XLogP-1.80
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol with MolForge

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Related Compounds

9-(trifluoromethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
CID 58877645
(1R,5R,6R,7S,8R,9S)-9-methoxy-6-(trifluoromethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
CID 122399414
(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 20605460
methyl 4-[[(5S,7R,8R,9S)-8,9-dihydroxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl]oxymethyl]benzoate
CID 11325216
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(3S)-4-methoxy-3-methyl-2,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 122596436
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The IUPAC name of (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol (CID 11333170) is (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol.
What is the SMILES notation for (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The canonical SMILES for (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol is COC1[C@H]2OC3OC([C@@H](O)[C@H]1O3)[C@@H]2O.
What is the InChIKey of (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The InChIKey is MOXHWXBTMPIEGQ-BHURQIRWSA-N. The full InChI is InChI=1S/C8H12O6/c1-11-7-5-2(9)4-3(10)6(7)14-8(12-4)13-5/h2-10H,1H3/t2-,3+,4?,5-,6+,7?,8?.
What are the key properties of (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
(1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol has a molecular weight of 204.18 g/mol, XLogP of -1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,8R)-9-methoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol is sourced from PubChem (CID 11333170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).