[(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate

C28H37NO10 — CID 6709234

IUPAC[(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate
SMILESCO[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](OC(C)=O)C(=O)C=C(C(=O)CCCOCCO)c1cccc(C)c1
InChIInChI=1S/C28H37NO10/c1-17(2)22-16-38-28(35)29(22)27(34)26(36-5)25(39-19(4)31)24(33)15-21(20-9-6-8-18(3)14-20)23(32)10-7-12-37-13-11-30/h6,8-9,14-15,17,22,25-26,30H,7,10-13,16H2,1-5H3/t22-,25-,26+/m0/s1
InChIKeyQEBMEVDVBWSZIJ-UCGXPXSYSA-N
MW547.60 g/mol
LogP2.26
Rot. Bonds15

About [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate

[(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate (PubChem CID 6709234) has the molecular formula C28H37NO10 and a molecular weight of 547.60 g/mol. Its IUPAC name is [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate
PubChem CID6709234
Molecular FormulaC28H37NO10
Molecular Weight547.60 g/mol
Exact Mass547.24
IUPAC Name[(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate
SMILESCO[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](OC(C)=O)C(=O)C=C(C(=O)CCCOCCO)c1cccc(C)c1
InChIInChI=1S/C28H37NO10/c1-17(2)22-16-38-28(35)29(22)27(34)26(36-5)25(39-19(4)31)24(33)15-21(20-9-6-8-18(3)14-20)23(32)10-7-12-37-13-11-30/h6,8-9,14-15,17,22,25-26,30H,7,10-13,16H2,1-5H3/t22-,25-,26+/m0/s1
InChIKeyQEBMEVDVBWSZIJ-UCGXPXSYSA-N
XLogP2.26
TPSA145.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?
The IUPAC name of [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate (CID 6709234) is [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?
The canonical SMILES for [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate is CO[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](OC(C)=O)C(=O)C=C(C(=O)CCCOCCO)c1cccc(C)c1.
What is the InChIKey of [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?
The InChIKey is QEBMEVDVBWSZIJ-UCGXPXSYSA-N. The full InChI is InChI=1S/C28H37NO10/c1-17(2)22-16-38-28(35)29(22)27(34)26(36-5)25(39-19(4)31)24(33)15-21(20-9-6-8-18(3)14-20)23(32)10-7-12-37-13-11-30/h6,8-9,14-15,17,22,25-26,30H,7,10-13,16H2,1-5H3/t22-,25-,26+/m0/s1.
What are the key properties of [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?
[(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate has a molecular weight of 547.60 g/mol, XLogP of 2.26, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-10-(2-hydroxyethoxy)-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate is sourced from PubChem (CID 6709234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).