(3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one

C27H28O5 — CID 11154709

IUPAC(3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
SMILESC[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H28O5/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-26H,17-19H2,1H3/t20-,24-,25+,26+/m0/s1
InChIKeySFKYGYRKFMUHAD-JSKMBAMBSA-N
MW432.52 g/mol
LogP4.69
Rot. Bonds9

About (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one

(3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one (PubChem CID 11154709) has the molecular formula C27H28O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one.

Molecular Properties

Compound Name(3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
PubChem CID11154709
Molecular FormulaC27H28O5
Molecular Weight432.52 g/mol
Exact Mass432.19
IUPAC Name(3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
SMILESC[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H28O5/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-26H,17-19H2,1H3/t20-,24-,25+,26+/m0/s1
InChIKeySFKYGYRKFMUHAD-JSKMBAMBSA-N
XLogP4.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one 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

(2S,3R)-2-(benzyloxy)-3-methoxycyclohexanone
CID 44413811
8,9-Bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 162664103
[(1S,2S)-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-2-[[(1S,3S,4R,5S)-7-oxo-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-4-yl]oxy]-1-phenylethyl] acetate
CID 155515607
Tribenzyl citrate
CID 220016
Ethyl 3,3-diphenyloxirane-2-carboxylate
CID 226164
(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one
CID 10907626
(3R,4R,5R)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one
CID 11004289
Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester
CID 111027
Dimethyl 3,5-diphenyltetrahydro-2,4-furandicarboxylate
CID 11836756
(2S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-one
CID 10624274
[(2S,3S,4S,5R,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 44440775
(2S,4S,5R,6R)-2-ethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 44440825

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one?
The IUPAC name of (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one (CID 11154709) is (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one.
What is the SMILES notation for (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one?
The canonical SMILES for (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one is C[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one?
The InChIKey is SFKYGYRKFMUHAD-JSKMBAMBSA-N. The full InChI is InChI=1S/C27H28O5/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-26H,17-19H2,1H3/t20-,24-,25+,26+/m0/s1.
What are the key properties of (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one?
(3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one has a molecular weight of 432.52 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one is sourced from PubChem (CID 11154709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).