ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate

C32H33NO6 — CID 135067793

IUPACethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C32H33NO6/c1-4-37-30(35)32(24-18-12-7-13-19-24)27(22-14-8-5-9-15-22)26(28(39-32)23-16-10-6-11-17-23)29(34)33-25(21(2)3)20-38-31(33)36/h5-19,21,25-28H,4,20H2,1-3H3/t25-,26+,27+,28+,32+/m1/s1
InChIKeyYNNSCUPCFCSKNI-HEDZJINPSA-N
MW527.62 g/mol
LogP5.62
Rot. Bonds7

About ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate

ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate (PubChem CID 135067793) has the molecular formula C32H33NO6 and a molecular weight of 527.62 g/mol. Its IUPAC name is ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate
PubChem CID135067793
Molecular FormulaC32H33NO6
Molecular Weight527.62 g/mol
Exact Mass527.23
IUPAC Nameethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C32H33NO6/c1-4-37-30(35)32(24-18-12-7-13-19-24)27(22-14-8-5-9-15-22)26(28(39-32)23-16-10-6-11-17-23)29(34)33-25(21(2)3)20-38-31(33)36/h5-19,21,25-28H,4,20H2,1-3H3/t25-,26+,27+,28+,32+/m1/s1
InChIKeyYNNSCUPCFCSKNI-HEDZJINPSA-N
XLogP5.62
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate?
The IUPAC name of ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate (CID 135067793) is ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate is CCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate?
The InChIKey is YNNSCUPCFCSKNI-HEDZJINPSA-N. The full InChI is InChI=1S/C32H33NO6/c1-4-37-30(35)32(24-18-12-7-13-19-24)27(22-14-8-5-9-15-22)26(28(39-32)23-16-10-6-11-17-23)29(34)33-25(21(2)3)20-38-31(33)36/h5-19,21,25-28H,4,20H2,1-3H3/t25-,26+,27+,28+,32+/m1/s1.
What are the key properties of ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate?
ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate has a molecular weight of 527.62 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4S,5R)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,3,5-triphenyloxolane-2-carboxylate is sourced from PubChem (CID 135067793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).