(1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol

C10H16O5 — CID 10822583

IUPAC(1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol
SMILESOC[C@H]1O[C@@H]2OC[C@@H]3C[C@H](O)[C@H]([C@@H]1O)[C@@H]32
InChIInChI=1S/C10H16O5/c11-2-6-9(13)8-5(12)1-4-3-14-10(15-6)7(4)8/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10-/m0/s1
InChIKeyIZKUEBAEZIXDEC-SGWQGHRUSA-N
MW216.23 g/mol
LogP-1.29
Rot. Bonds1

About (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol

(1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol (PubChem CID 10822583) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol.

Molecular Properties

Compound Name(1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol
PubChem CID10822583
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol
SMILESOC[C@H]1O[C@@H]2OC[C@@H]3C[C@H](O)[C@H]([C@@H]1O)[C@@H]32
InChIInChI=1S/C10H16O5/c11-2-6-9(13)8-5(12)1-4-3-14-10(15-6)7(4)8/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10-/m0/s1
InChIKeyIZKUEBAEZIXDEC-SGWQGHRUSA-N
XLogP-1.29
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol?
The IUPAC name of (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol (CID 10822583) is (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol.
What is the SMILES notation for (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol?
The canonical SMILES for (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol is OC[C@H]1O[C@@H]2OC[C@@H]3C[C@H](O)[C@H]([C@@H]1O)[C@@H]32.
What is the InChIKey of (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol?
The InChIKey is IZKUEBAEZIXDEC-SGWQGHRUSA-N. The full InChI is InChI=1S/C10H16O5/c11-2-6-9(13)8-5(12)1-4-3-14-10(15-6)7(4)8/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10-/m0/s1.
What are the key properties of (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol?
(1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol has a molecular weight of 216.23 g/mol, XLogP of -1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol is sourced from PubChem (CID 10822583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).