(3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C35H36O5 — CID 11060545

IUPAC(3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC=C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C35H36O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,32-35H,1,22-26H2/t32-,33+,34-,35-/m1/s1
InChIKeyZMPUERSSNVHHJM-AOJHZZQJSA-N
MW536.67 g/mol
LogP6.87
Rot. Bonds13

About (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 11060545) has the molecular formula C35H36O5 and a molecular weight of 536.67 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID11060545
Molecular FormulaC35H36O5
Molecular Weight536.67 g/mol
Exact Mass536.26
IUPAC Name(3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC=C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C35H36O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,32-35H,1,22-26H2/t32-,33+,34-,35-/m1/s1
InChIKeyZMPUERSSNVHHJM-AOJHZZQJSA-N
XLogP6.87
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane 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 (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 11060545) is (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is C=C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is ZMPUERSSNVHHJM-AOJHZZQJSA-N. The full InChI is InChI=1S/C35H36O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,32-35H,1,22-26H2/t32-,33+,34-,35-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 536.67 g/mol, XLogP of 6.87, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 11060545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).