(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol

C10H16O6 — CID 14413755

IUPAC(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
SMILESCO[C@@H]1C[C@H]2[C@H](O)[C@@H](O)[C@@]3(O)CO[C@@H](O1)[C@@H]23
InChIInChI=1S/C10H16O6/c1-14-5-2-4-6-9(16-5)15-3-10(6,13)8(12)7(4)11/h4-9,11-13H,2-3H2,1H3/t4-,5+,6-,7+,8-,9+,10-/m1/s1
InChIKeyLVAWHTOAFSCIIW-NEYBOIOJSA-N
MW232.23 g/mol
LogP-1.57
Rot. Bonds1

About (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol

(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol (PubChem CID 14413755) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol.

Molecular Properties

Compound Name(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
PubChem CID14413755
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
SMILESCO[C@@H]1C[C@H]2[C@H](O)[C@@H](O)[C@@]3(O)CO[C@@H](O1)[C@@H]23
InChIInChI=1S/C10H16O6/c1-14-5-2-4-6-9(16-5)15-3-10(6,13)8(12)7(4)11/h4-9,11-13H,2-3H2,1H3/t4-,5+,6-,7+,8-,9+,10-/m1/s1
InChIKeyLVAWHTOAFSCIIW-NEYBOIOJSA-N
XLogP-1.57
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol?
The IUPAC name of (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol (CID 14413755) is (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol.
What is the SMILES notation for (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol?
The canonical SMILES for (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol is CO[C@@H]1C[C@H]2[C@H](O)[C@@H](O)[C@@]3(O)CO[C@@H](O1)[C@@H]23.
What is the InChIKey of (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol?
The InChIKey is LVAWHTOAFSCIIW-NEYBOIOJSA-N. The full InChI is InChI=1S/C10H16O6/c1-14-5-2-4-6-9(16-5)15-3-10(6,13)8(12)7(4)11/h4-9,11-13H,2-3H2,1H3/t4-,5+,6-,7+,8-,9+,10-/m1/s1.
What are the key properties of (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol?
(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol has a molecular weight of 232.23 g/mol, XLogP of -1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol is sourced from PubChem (CID 14413755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).