Basic information
- Standard SMILES
CC(=O)OCC1OC2OC(C)=NC2C(OC(C)=O)C1OC(C)=O- InChIKey
WZFQZRLQMXZMJA-UHFFFAOYSA-N- Molecular formula
- C14H19NO8
- Average molar mass
- 329.3 g/mol
Names & identifiers
- Preferred name
- 5-(Acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazole-6,7-diyl diacetate
- IUPAC
- (6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate
Names & synonyms
5-(acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazole-6,7-diyl diacetate123483-77-2(6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetateb-D-Glucopyranosiduronic acid,4-(2-aminoethyl)-2-hydroxyphenyl(3aR,5R,6R,7R,7aR)-5-(acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazole-6,7-diyl diacetateSCHEMBL10177644AKOS015924551SB49368(6,7-diacetoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-5-yl)methyl acetate2-Methyl-(3-4-6-tri-O-acetyl-1-2-dideoxy-alpha-D-glucopyrano)-[2-1-d]-2-oxazoline5-(acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazole-6,7-diyldiacetate
Database identifiers
- PubChem CID
- 539089
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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