Einecs 279-713-6
Basic information
- CAS
81244-99-7- Standard SMILES
CCN[C@@H]1[C@@H](O)C(O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CCN[C@@H]1[C@@H](O)C(O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
PILVJXCVAKTGLB-VWYOFXFVSA-N- Molecular formula
- C40H88N10O34S5
- Average molar mass
- 1,413.5 g/mol
- Monoisotopic mass
- 1,412.4067958
Names & identifiers
- Preferred name
- Einecs 279-713-6
- IUPAC
- bis((3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(ethylamino)-5-methyloxane-3,5-diol);sulfuric acid
Names & synonyms
EINECS 279-713-681244-99-7Bis(O-3-deoxy-3-(ethylamino)-4-C-methyl-beta-L-arabinopyranosyl-(1.6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1.4))-1,3-diamino-1,2,3-trideoxy-D-scyllo-inositol) pentakis(sulphate)
Database identifiers
- CAS
81244-99-7- PubChem CID
- 129010978
- EC Number
- 279-713-6
Properties
Computed structural properties
- Topological polar surface area
- 842 Ų
- Hydrogen bond donors
- 26
- Hydrogen bond acceptors
- 44
- Rotatable bonds
- 14
- Heavy atoms
- 89
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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