(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol

C41H42O6 — CID 67924333

IUPAC(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol
SMILESOC1[C@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)C(O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
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/h1-25,36,42-47H,26-30H2/t36?,37-,38+,39-,40-,41?/m1/s1
InChIKeyIIDZNMHBLSOXEM-JSOZEKAASA-N
MW630.78 g/mol
LogP4.23
Rot. Bonds10

About (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol

(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol (PubChem CID 67924333) has the molecular formula C41H42O6 and a molecular weight of 630.78 g/mol. Its IUPAC name is (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol
PubChem CID67924333
Molecular FormulaC41H42O6
Molecular Weight630.78 g/mol
Exact Mass630.30
IUPAC Name(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol
SMILESOC1[C@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)C(O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
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/h1-25,36,42-47H,26-30H2/t36?,37-,38+,39-,40-,41?/m1/s1
InChIKeyIIDZNMHBLSOXEM-JSOZEKAASA-N
XLogP4.23
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 54.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R,3R,4S,5R,6R)-1,3,4-tribenzyl-2,5-bis(prop-2-enyl)cyclohexane-1,2,3,4,5,6-hexol
CID 70354009
bis((2R,3S,5R,6S)-1-benzylcyclohexane-1,2,3,4,5,6-hexol);dihydrate
CID 139077583
(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 67771303
(2R,3R,4S,5R)-4,5,6-tribenzyl-6-fluoro-2-(hydroxymethyl)-5-phenylmethoxyoxane-3,4-diol
CID 18667412
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
(3R,4S,5R,6R)-3,4-dibenzyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,3,4-triol
CID 18664957
(1R,2R,3R,4R,5R,6S)-1,4-dibenzyl-2,3-bis(dibenzylphosphoryl)-5-tris(prop-2-enyl)silylcyclohexane-1,2,3,4,5,6-hexol
CID 88595879
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
(2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 140502708
(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol
CID 54252696

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol?
The IUPAC name of (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol (CID 67924333) is (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol is OC1[C@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)C(O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1.
What is the InChIKey of (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol?
The InChIKey is IIDZNMHBLSOXEM-JSOZEKAASA-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/h1-25,36,42-47H,26-30H2/t36?,37-,38+,39-,40-,41?/m1/s1.
What are the key properties of (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol?
(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol has a molecular weight of 630.78 g/mol, XLogP of 4.23, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 67924333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).