[3,4,6-Tris(acetyloxy)-5-aminooxan-2-YL]methyl acetate

HCID 408523

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)OCC1OC(OC(C)=O)C(N)C(OC(C)=O)C1OC(C)=O
InChIKey: ZRAWPYYLRZSVEU-UHFFFAOYSA-N
Molecular formula: C14H21NO9
Average molar mass: 347.32 g/mol

Names & identifiers

Preferred name: [3,4,6-Tris(acetyloxy)-5-aminooxan-2-YL]methyl acetate
IUPAC: (3,4,6-triacetyloxy-5-aminooxan-2-yl)methyl acetate

Names & synonyms

Oprea1_728493SCHEMBL13146657[(2R,3S,4R,5R,6S)-3,4,6-TRIS(ACETYLOXY)-5-AMINOOXAN-2-YL]METHYL ACETATEAKOS021984449[3,4,6-TRIS(ACETYLOXY)-5-AMINOOXAN-2-YL]METHYL ACETATE6-(Acetoxymethyl)-3-aminotetrahydro-2H-pyran-2,4,5-triyl triacetate

Database identifiers

PubChem CID: 408523

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 140 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 506

Related reactions

10 records

New reaction record

HRID 116819As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 312801As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 831098As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 961653As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1562339As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2135003As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2137229As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2148712As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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