[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate

C10H15NO6 — CID 10037500

IUPAC[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate
SMILESCC(=O)N[C@@H]1[C@H](OC(C)=O)OC[C@H]1OC(C)=O
InChIInChI=1S/C10H15NO6/c1-5(12)11-9-8(16-6(2)13)4-15-10(9)17-7(3)14/h8-10H,4H2,1-3H3,(H,11,12)/t8-,9+,10+/m1/s1
InChIKeyFRWOKRZITKGUQD-UTLUCORTSA-N
MW245.23 g/mol
LogP-0.66
Rot. Bonds3

About [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate

[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate (PubChem CID 10037500) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate
PubChem CID10037500
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate
SMILESCC(=O)N[C@@H]1[C@H](OC(C)=O)OC[C@H]1OC(C)=O
InChIInChI=1S/C10H15NO6/c1-5(12)11-9-8(16-6(2)13)4-15-10(9)17-7(3)14/h8-10H,4H2,1-3H3,(H,11,12)/t8-,9+,10+/m1/s1
InChIKeyFRWOKRZITKGUQD-UTLUCORTSA-N
XLogP-0.66
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate 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 [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate?
The IUPAC name of [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate (CID 10037500) is [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate.
What is the SMILES notation for [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate?
The canonical SMILES for [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate is CC(=O)N[C@@H]1[C@H](OC(C)=O)OC[C@H]1OC(C)=O.
What is the InChIKey of [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate?
The InChIKey is FRWOKRZITKGUQD-UTLUCORTSA-N. The full InChI is InChI=1S/C10H15NO6/c1-5(12)11-9-8(16-6(2)13)4-15-10(9)17-7(3)14/h8-10H,4H2,1-3H3,(H,11,12)/t8-,9+,10+/m1/s1.
What are the key properties of [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate?
[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate has a molecular weight of 245.23 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate is sourced from PubChem (CID 10037500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).