(4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C29H43NO6 — CID 56684134

IUPAC(4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@H]1O[C@](CC)([C@H]2CC[C@](CC)([C@H](C)O)O2)C[C@@H]1C
InChIInChI=1S/C29H43NO6/c1-7-22(26(32)30-19(5)25(34-27(30)33)21-13-11-10-12-14-21)24-18(4)17-29(9-3,36-24)23-15-16-28(8-2,35-23)20(6)31/h10-14,18-20,22-25,31H,7-9,15-17H2,1-6H3/t18-,19+,20-,22+,23+,24-,25+,28+,29-/m0/s1
InChIKeySYWOXCFBKCIFEM-VTYWIBJUSA-N
MW501.66 g/mol
LogP5.40
Rot. Bonds8

About (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 56684134) has the molecular formula C29H43NO6 and a molecular weight of 501.66 g/mol. Its IUPAC name is (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID56684134
Molecular FormulaC29H43NO6
Molecular Weight501.66 g/mol
Exact Mass501.31
IUPAC Name(4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC[C@@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@H]1O[C@](CC)([C@H]2CC[C@](CC)([C@H](C)O)O2)C[C@@H]1C
InChIInChI=1S/C29H43NO6/c1-7-22(26(32)30-19(5)25(34-27(30)33)21-13-11-10-12-14-21)24-18(4)17-29(9-3,36-24)23-15-16-28(8-2,35-23)20(6)31/h10-14,18-20,22-25,31H,7-9,15-17H2,1-6H3/t18-,19+,20-,22+,23+,24-,25+,28+,29-/m0/s1
InChIKeySYWOXCFBKCIFEM-VTYWIBJUSA-N
XLogP5.40
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.66
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 56684134) is (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC[C@@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@H]1O[C@](CC)([C@H]2CC[C@](CC)([C@H](C)O)O2)C[C@@H]1C.
What is the InChIKey of (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SYWOXCFBKCIFEM-VTYWIBJUSA-N. The full InChI is InChI=1S/C29H43NO6/c1-7-22(26(32)30-19(5)25(34-27(30)33)21-13-11-10-12-14-21)24-18(4)17-29(9-3,36-24)23-15-16-28(8-2,35-23)20(6)31/h10-14,18-20,22-25,31H,7-9,15-17H2,1-6H3/t18-,19+,20-,22+,23+,24-,25+,28+,29-/m0/s1.
What are the key properties of (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 501.66 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R)-2-[(2S,3S,5S)-5-ethyl-5-[(2R,5R)-5-ethyl-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 56684134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).