(4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one

C49H53NO8 — CID 10963828

IUPAC(4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C49H53NO8/c1-36(28-45(51)50-42(34-57-49(50)52)29-37-17-7-2-8-18-37)27-43-46(54-31-39-21-11-4-12-22-39)48(56-33-41-25-15-6-16-26-41)47(55-32-40-23-13-5-14-24-40)44(58-43)35-53-30-38-19-9-3-10-20-38/h2-26,36,42-44,46-48H,27-35H2,1H3/t36-,42+,43-,44+,46-,47-,48+/m0/s1
InChIKeyGGMWDDJHNRIIOE-LKKHOOPCSA-N
MW783.96 g/mol
LogP8.73
Rot. Bonds19

About (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 10963828) has the molecular formula C49H53NO8 and a molecular weight of 783.96 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID10963828
Molecular FormulaC49H53NO8
Molecular Weight783.96 g/mol
Exact Mass783.38
IUPAC Name(4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C49H53NO8/c1-36(28-45(51)50-42(34-57-49(50)52)29-37-17-7-2-8-18-37)27-43-46(54-31-39-21-11-4-12-22-39)48(56-33-41-25-15-6-16-26-41)47(55-32-40-23-13-5-14-24-40)44(58-43)35-53-30-38-19-9-3-10-20-38/h2-26,36,42-44,46-48H,27-35H2,1H3/t36-,42+,43-,44+,46-,47-,48+/m0/s1
InChIKeyGGMWDDJHNRIIOE-LKKHOOPCSA-N
XLogP8.73
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.96
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one (CID 10963828) is (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is GGMWDDJHNRIIOE-LKKHOOPCSA-N. The full InChI is InChI=1S/C49H53NO8/c1-36(28-45(51)50-42(34-57-49(50)52)29-37-17-7-2-8-18-37)27-43-46(54-31-39-21-11-4-12-22-39)48(56-33-41-25-15-6-16-26-41)47(55-32-40-23-13-5-14-24-40)44(58-43)35-53-30-38-19-9-3-10-20-38/h2-26,36,42-44,46-48H,27-35H2,1H3/t36-,42+,43-,44+,46-,47-,48+/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 783.96 g/mol, XLogP of 8.73, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10963828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).