5-acetyl-1,2,3,5,6-oxatetrazinan-3-yl acetate

AlkaPlorer ID: AK092284

Synonym: None

IUPAC Name: (5-acetyl-1,2,3,5,6-oxatetrazinan-3-yl) acetate

Structure

SMILES: CC(=O)ON1CN(C(C)=O)NON1

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InChI: InChI=1S/C5H10N4O4/c1-4(10)8-3-9(7-13-6-8)12-5(2)11/h6-7H,3H2,1-2H3

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InChIKey: IOPQLDLYPZSAEX-UHFFFAOYSA-N

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Reference

PubChem CID: 162936535

SuperNatural Ⅲ: SN0151126

NPASS: NPC147812

COCONUT: CNP0206680

Source

Properties Information

Molecule Weight: 190.159

TPSA: 83.14

MolLogP: -1.558099999999999

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information