(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol

C28H32O6 — CID 11048887

IUPAC(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
SMILESO[C@@H]1C[C@](O)(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C28H32O6/c29-24-16-28(31,20-32-17-21-10-4-1-5-11-21)27(34-19-23-14-8-3-9-15-23)26(25(24)30)33-18-22-12-6-2-7-13-22/h1-15,24-27,29-31H,16-20H2/t24-,25-,26?,27+,28+/m1/s1
InChIKeyGTZLIDHJGKDVFK-OJTYPVHASA-N
MW464.56 g/mol
LogP3.23
Rot. Bonds10

About (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol

(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol (PubChem CID 11048887) has the molecular formula C28H32O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol.

Molecular Properties

Compound Name(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
PubChem CID11048887
Molecular FormulaC28H32O6
Molecular Weight464.56 g/mol
Exact Mass464.22
IUPAC Name(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
SMILESO[C@@H]1C[C@](O)(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C28H32O6/c29-24-16-28(31,20-32-17-21-10-4-1-5-11-21)27(34-19-23-14-8-3-9-15-23)26(25(24)30)33-18-22-12-6-2-7-13-22/h1-15,24-27,29-31H,16-20H2/t24-,25-,26?,27+,28+/m1/s1
InChIKeyGTZLIDHJGKDVFK-OJTYPVHASA-N
XLogP3.23
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol?
The IUPAC name of (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol (CID 11048887) is (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol.
What is the SMILES notation for (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol?
The canonical SMILES for (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol is O[C@@H]1C[C@](O)(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol?
The InChIKey is GTZLIDHJGKDVFK-OJTYPVHASA-N. The full InChI is InChI=1S/C28H32O6/c29-24-16-28(31,20-32-17-21-10-4-1-5-11-21)27(34-19-23-14-8-3-9-15-23)26(25(24)30)33-18-22-12-6-2-7-13-22/h1-15,24-27,29-31H,16-20H2/t24-,25-,26?,27+,28+/m1/s1.
What are the key properties of (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol?
(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol has a molecular weight of 464.56 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol is sourced from PubChem (CID 11048887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).