(3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol

C34H36O6 — CID 10053025

IUPAC(3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol
SMILESOC1(COCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H36O6/c35-34(26-37-22-28-15-7-2-8-16-28)33(39-24-30-19-11-4-12-20-30)32(38-23-29-17-9-3-10-18-29)31(40-34)25-36-21-27-13-5-1-6-14-27/h1-20,31-33,35H,21-26H2/t31-,32-,33+,34?/m1/s1
InChIKeyLQAPNUOZMVWFMX-HBQPKYPGSA-N
MW540.66 g/mol
LogP5.68
Rot. Bonds14

About (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol

(3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol (PubChem CID 10053025) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name(3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol
PubChem CID10053025
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name(3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol
SMILESOC1(COCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H36O6/c35-34(26-37-22-28-15-7-2-8-16-28)33(39-24-30-19-11-4-12-20-30)32(38-23-29-17-9-3-10-18-29)31(40-34)25-36-21-27-13-5-1-6-14-27/h1-20,31-33,35H,21-26H2/t31-,32-,33+,34?/m1/s1
InChIKeyLQAPNUOZMVWFMX-HBQPKYPGSA-N
XLogP5.68
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-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 (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol?
The IUPAC name of (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol (CID 10053025) is (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol.
What is the SMILES notation for (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol?
The canonical SMILES for (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol is OC1(COCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol?
The InChIKey is LQAPNUOZMVWFMX-HBQPKYPGSA-N. The full InChI is InChI=1S/C34H36O6/c35-34(26-37-22-28-15-7-2-8-16-28)33(39-24-30-19-11-4-12-20-30)32(38-23-29-17-9-3-10-18-29)31(40-34)25-36-21-27-13-5-1-6-14-27/h1-20,31-33,35H,21-26H2/t31-,32-,33+,34?/m1/s1.
What are the key properties of (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol?
(3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol has a molecular weight of 540.66 g/mol, XLogP of 5.68, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-ol is sourced from PubChem (CID 10053025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).