[3,4,6-Triacetyloxy-5-[2-(phenylmethoxycarbonylamino)propanoylamino]oxan-2-yl]methyl acetate
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Basic information
- CAS
16682-10-3- Standard SMILES
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C(C)NC(=O)OCc2ccccc2)C(OC(C)=O)C1OC(C)=O- InChIKey
USMJALLVXUDHIV-UHFFFAOYSA-N- Molecular formula
- C25H32N2O12
- Average molar mass
- 552.5 g/mol
- Monoisotopic mass
- 552.19552446
Names & identifiers
- Preferred name
- [3,4,6-Triacetyloxy-5-[2-(phenylmethoxycarbonylamino)propanoylamino]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,6-triacetyloxy-5-[2-(phenylmethoxycarbonylamino)propanoylamino]oxan-2-yl]methyl acetate
Names & synonyms
16682-10-3NSC273833[3,4,6-triacetyloxy-5-[2-(phenylmethoxycarbonylamino)propanoylamino]oxan-2-yl]methyl acetateDTXSID00313647USMJALLVXUDHIV-UHFFFAOYSA-NZINC05371892NSC-2738331,3,4,6-Tetra-O-acetyl-2-(2-{[(benzyloxy)carbonyl]amino}propanamido)-2-deoxyhexopyranose1,3,4,6-TETRA-O-ACETYL-N-(N-BENZYLOXYCARBONYL-DL-ALANYL)-BETA-D-GLUCOSAMINE
Database identifiers
- CAS
16682-10-3- PubChem CID
- 321604
- DTXSID
DTXSID00313647
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 903
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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