Einecs 279-497-3
Basic information
- CAS
80581-69-7- Standard SMILES
NC[C@H]1O[C@H](O[C@H]2C[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](NC(=O)c3cc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4oc3=O)C[C@@H]2N)[C@H](N)C[C@@H]1O- InChIKey
GHDALFXAGONXJC-XVWVLGGBSA-N- Molecular formula
- C34H51N5O17
- Average molar mass
- 801.8 g/mol
- Monoisotopic mass
- 801.32799518
Names & identifiers
- Preferred name
- Einecs 279-497-3
- IUPAC
- N-[(1R,2R,4S,5S)-5-amino-4-[(2S,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]-2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-3-carboxamide
Names & synonyms
EINECS 279-497-380581-69-7d-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1.6)-O-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl-(1.4))-2-deoxy-, N-((7-(beta-D-galactopyranosyloxy)-2-oxo-2H-1-benzopyran-3-yl)carbonyl) deriv.
Database identifiers
- CAS
80581-69-7- PubChem CID
- 129010966
- EC Number
- 279-497-3
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 377 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 11
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,390
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Compound notes
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