[(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate

C26H40BrNO8 — CID 6709266

IUPAC[(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate
SMILESCO[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](OC(C)=O)c1cc(Br)c(CCCCCCCCCCO)o1
InChIInChI=1S/C26H40BrNO8/c1-17(2)20-16-34-26(32)28(20)25(31)24(33-4)23(35-18(3)30)22-15-19(27)21(36-22)13-11-9-7-5-6-8-10-12-14-29/h15,17,20,23-24,29H,5-14,16H2,1-4H3/t20-,23-,24+/m0/s1
InChIKeyQXJVPCXUQNUSIV-NKKJXINNSA-N
MW574.51 g/mol
LogP5.32
Rot. Bonds16

About [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate

[(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate (PubChem CID 6709266) has the molecular formula C26H40BrNO8 and a molecular weight of 574.51 g/mol. Its IUPAC name is [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate
PubChem CID6709266
Molecular FormulaC26H40BrNO8
Molecular Weight574.51 g/mol
Exact Mass573.19
IUPAC Name[(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate
SMILESCO[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](OC(C)=O)c1cc(Br)c(CCCCCCCCCCO)o1
InChIInChI=1S/C26H40BrNO8/c1-17(2)20-16-34-26(32)28(20)25(31)24(33-4)23(35-18(3)30)22-15-19(27)21(36-22)13-11-9-7-5-6-8-10-12-14-29/h15,17,20,23-24,29H,5-14,16H2,1-4H3/t20-,23-,24+/m0/s1
InChIKeyQXJVPCXUQNUSIV-NKKJXINNSA-N
XLogP5.32
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate?
The IUPAC name of [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate (CID 6709266) is [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate.
What is the SMILES notation for [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate?
The canonical SMILES for [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate is CO[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H](OC(C)=O)c1cc(Br)c(CCCCCCCCCCO)o1.
What is the InChIKey of [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate?
The InChIKey is QXJVPCXUQNUSIV-NKKJXINNSA-N. The full InChI is InChI=1S/C26H40BrNO8/c1-17(2)20-16-34-26(32)28(20)25(31)24(33-4)23(35-18(3)30)22-15-19(27)21(36-22)13-11-9-7-5-6-8-10-12-14-29/h15,17,20,23-24,29H,5-14,16H2,1-4H3/t20-,23-,24+/m0/s1.
What are the key properties of [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate?
[(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate has a molecular weight of 574.51 g/mol, XLogP of 5.32, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-[4-bromo-5-(10-hydroxydecyl)furan-2-yl]-2-methoxy-3-oxo-3-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl] acetate is sourced from PubChem (CID 6709266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).