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

C45H53NO8 — CID 10723676

IUPAC(4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)CC[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C45H53NO8/c1-32(2)38-30-53-45(48)46(38)44(47)33(3)24-25-39-41(50-27-35-18-10-5-11-19-35)43(52-29-37-22-14-7-15-23-37)42(51-28-36-20-12-6-13-21-36)40(54-39)31-49-26-34-16-8-4-9-17-34/h4-23,32-33,38-43H,24-31H2,1-3H3/t33-,38+,39+,40+,41-,42-,43+/m0/s1
InChIKeyNSNCEEDHBJXYEP-XGHYCNCISA-N
MW735.92 g/mol
LogP8.15
Rot. Bonds18

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

(4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10723676) has the molecular formula C45H53NO8 and a molecular weight of 735.92 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10723676
Molecular FormulaC45H53NO8
Molecular Weight735.92 g/mol
Exact Mass735.38
IUPAC Name(4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)CC[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C45H53NO8/c1-32(2)38-30-53-45(48)46(38)44(47)33(3)24-25-39-41(50-27-35-18-10-5-11-19-35)43(52-29-37-22-14-7-15-23-37)42(51-28-36-20-12-6-13-21-36)40(54-39)31-49-26-34-16-8-4-9-17-34/h4-23,32-33,38-43H,24-31H2,1-3H3/t33-,38+,39+,40+,41-,42-,43+/m0/s1
InChIKeyNSNCEEDHBJXYEP-XGHYCNCISA-N
XLogP8.15
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.92
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-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 (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10723676) is (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)CC[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NSNCEEDHBJXYEP-XGHYCNCISA-N. The full InChI is InChI=1S/C45H53NO8/c1-32(2)38-30-53-45(48)46(38)44(47)33(3)24-25-39-41(50-27-35-18-10-5-11-19-35)43(52-29-37-22-14-7-15-23-37)42(51-28-36-20-12-6-13-21-36)40(54-39)31-49-26-34-16-8-4-9-17-34/h4-23,32-33,38-43H,24-31H2,1-3H3/t33-,38+,39+,40+,41-,42-,43+/m0/s1.
What are the key properties of (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 735.92 g/mol, XLogP of 8.15, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2-methyl-4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10723676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).