(1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol

C32H28O6 — CID 131971259

IUPAC(1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
SMILESOC1[C@H]2OC(c3ccccc3)(c3ccccc3)O[C@H]2C(O)[C@@H]2OC(c3ccccc3)(c3ccccc3)O[C@@H]12
InChIInChI=1S/C32H28O6/c33-25-27-28(36-31(35-27,21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(34)30-29(25)37-32(38-30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-30,33-34H/t25?,26?,27-,28-,29-,30+/m0/s1
InChIKeyIDBKXFHCZZSKDQ-CSXACLAXSA-N
MW508.57 g/mol
LogP4.09
Rot. Bonds4

About (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol

(1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol (PubChem CID 131971259) has the molecular formula C32H28O6 and a molecular weight of 508.57 g/mol. Its IUPAC name is (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol.

Molecular Properties

Compound Name(1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
PubChem CID131971259
Molecular FormulaC32H28O6
Molecular Weight508.57 g/mol
Exact Mass508.19
IUPAC Name(1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
SMILESOC1[C@H]2OC(c3ccccc3)(c3ccccc3)O[C@H]2C(O)[C@@H]2OC(c3ccccc3)(c3ccccc3)O[C@@H]12
InChIInChI=1S/C32H28O6/c33-25-27-28(36-31(35-27,21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(34)30-29(25)37-32(38-30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-30,33-34H/t25?,26?,27-,28-,29-,30+/m0/s1
InChIKeyIDBKXFHCZZSKDQ-CSXACLAXSA-N
XLogP4.09
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol 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,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol?
The IUPAC name of (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol (CID 131971259) is (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol.
What is the SMILES notation for (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol?
The canonical SMILES for (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol is OC1[C@H]2OC(c3ccccc3)(c3ccccc3)O[C@H]2C(O)[C@@H]2OC(c3ccccc3)(c3ccccc3)O[C@@H]12.
What is the InChIKey of (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol?
The InChIKey is IDBKXFHCZZSKDQ-CSXACLAXSA-N. The full InChI is InChI=1S/C32H28O6/c33-25-27-28(36-31(35-27,21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(34)30-29(25)37-32(38-30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-30,33-34H/t25?,26?,27-,28-,29-,30+/m0/s1.
What are the key properties of (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol?
(1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol has a molecular weight of 508.57 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,7S,9R)-5,5,11,11-tetraphenyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol is sourced from PubChem (CID 131971259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).