(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol

C10H16O5 — CID 102153621

IUPAC(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
SMILESCO[C@H]1[C@@H]2CCO[C@@H]3OC[C@@](O)([C@@H]32)[C@@H]1O
InChIInChI=1S/C10H16O5/c1-13-7-5-2-3-14-9-6(5)10(12,4-15-9)8(7)11/h5-9,11-12H,2-4H2,1H3/t5-,6-,7+,8-,9-,10-/m1/s1
InChIKeyOKLIAPLLOUMEOG-TYKPCOJTSA-N
MW216.23 g/mol
LogP-0.88
Rot. Bonds1

About (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol

(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol (PubChem CID 102153621) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol.

Molecular Properties

Compound Name(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
PubChem CID102153621
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
SMILESCO[C@H]1[C@@H]2CCO[C@@H]3OC[C@@](O)([C@@H]32)[C@@H]1O
InChIInChI=1S/C10H16O5/c1-13-7-5-2-3-14-9-6(5)10(12,4-15-9)8(7)11/h5-9,11-12H,2-4H2,1H3/t5-,6-,7+,8-,9-,10-/m1/s1
InChIKeyOKLIAPLLOUMEOG-TYKPCOJTSA-N
XLogP-0.88
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol with MolForge

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Launch Full Analysis

Related Compounds

Rehmaglutin A
CID 5320903
beta-D-Glucopyranoside, (1aS,1bS,2S,6R,6aS,6bS)-octahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl
CID 5705531
Kankanol
CID 11492263
(1S,3R,4aR,5R,7S,7aS)-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,7-diol
CID 14486937
(1R,4S,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 16082029
(1S,2S,4S,5S,6R,10R)-10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
CID 16082032
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol
CID 102252289
(3'R,3aR,4S,5R,6aS)-5-tert-butyl-3a-(hydroxymethyl)spiro[2,3,6,6a-tetrahydrocyclopenta[b]furan-4,4'-oxolane]-2,3',5-triol
CID 156017625
Methylscutelloside
CID 54586746
Patriridoside F
CID 71454805
Adenosmoside
CID 71716364
(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 14413755

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol?
The IUPAC name of (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol (CID 102153621) is (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol.
What is the SMILES notation for (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol?
The canonical SMILES for (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol is CO[C@H]1[C@@H]2CCO[C@@H]3OC[C@@](O)([C@@H]32)[C@@H]1O.
What is the InChIKey of (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol?
The InChIKey is OKLIAPLLOUMEOG-TYKPCOJTSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-7-5-2-3-14-9-6(5)10(12,4-15-9)8(7)11/h5-9,11-12H,2-4H2,1H3/t5-,6-,7+,8-,9-,10-/m1/s1.
What are the key properties of (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol?
(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol has a molecular weight of 216.23 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol is sourced from PubChem (CID 102153621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).