Basic information
- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](Oc2cccc3occ(CCc4ccc(C(N)=NC(=O)OCc5ccccc5)cc4)c23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
CEUHNCCSCWPGAP-FUUDJPOPSA-N- Molecular formula
- C39H40N2O13
- Average molar mass
- 744.7 g/mol
- Monoisotopic mass
- 744.25303933
Names & identifiers
- Preferred name
- 4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-3-(2-{4-[1-amino-1-(benzyloxycarbonylimino)methyl]phenyl}ethyl)benzofuran
- IUPAC
- [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[3-[2-[4-(N'-phenylmethoxycarbonylcarbamimidoyl)phenyl]ethyl]-1-benzofuran-4-yl]oxy]oxan-2-yl]methyl acetate
Names & synonyms
CEUHNCCSCWPGAP-FUUDJPOPSA-N4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-3-(2-{4-[1-amino-1-(benzyloxycarbonylimino)methyl]phenyl}ethyl)benzofuran
Database identifiers
- PubChem CID
- 67136305
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 18
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
1 records
Compound notes
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