(2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol

C41H42O6 — CID 10995775

IUPAC(2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
SMILESOC1C(OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C41H42O6/c42-36-37(43-26-31-16-6-1-7-17-31)39(45-28-33-20-10-3-11-21-33)41(47-30-35-24-14-5-15-25-35)40(46-29-34-22-12-4-13-23-34)38(36)44-27-32-18-8-2-9-19-32/h1-25,36-42H,26-30H2/t36?,37-,38?,39-,40+,41?/m0/s1
InChIKeyPLKAJAVHVAUNLR-ASMJCYDASA-N
MW630.78 g/mol
LogP7.29
Rot. Bonds15

About (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol

(2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol (PubChem CID 10995775) has the molecular formula C41H42O6 and a molecular weight of 630.78 g/mol. Its IUPAC name is (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
PubChem CID10995775
Molecular FormulaC41H42O6
Molecular Weight630.78 g/mol
Exact Mass630.30
IUPAC Name(2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
SMILESOC1C(OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C41H42O6/c42-36-37(43-26-31-16-6-1-7-17-31)39(45-28-33-20-10-3-11-21-33)41(47-30-35-24-14-5-15-25-35)40(46-29-34-22-12-4-13-23-34)38(36)44-27-32-18-8-2-9-19-32/h1-25,36-42H,26-30H2/t36?,37-,38?,39-,40+,41?/m0/s1
InChIKeyPLKAJAVHVAUNLR-ASMJCYDASA-N
XLogP7.29
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol 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 (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol?
The IUPAC name of (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol (CID 10995775) is (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol.
What is the SMILES notation for (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol?
The canonical SMILES for (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol is OC1C(OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol?
The InChIKey is PLKAJAVHVAUNLR-ASMJCYDASA-N. The full InChI is InChI=1S/C41H42O6/c42-36-37(43-26-31-16-6-1-7-17-31)39(45-28-33-20-10-3-11-21-33)41(47-30-35-24-14-5-15-25-35)40(46-29-34-22-12-4-13-23-34)38(36)44-27-32-18-8-2-9-19-32/h1-25,36-42H,26-30H2/t36?,37-,38?,39-,40+,41?/m0/s1.
What are the key properties of (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol?
(2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol has a molecular weight of 630.78 g/mol, XLogP of 7.29, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol is sourced from PubChem (CID 10995775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).