Basic information
- CAS
56276-27-8- Standard SMILES
COC1COC(OC2C(N)CC(N)C(OC3OC(CN)CC(O)C3N)C2O)C(N)C1N.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
KOUNBTDEPQUXJW-UHFFFAOYSA-N- Molecular formula
- C18H44N6O19S3
- Average molar mass
- 744.8 g/mol
- Monoisotopic mass
- 744.18233672
Names & identifiers
- Preferred name
- D-Streptamine, O-2,3-diamino-2,3-dideoxy-4-O-methyl-alpha-D-xylopyranosyl-(1-6)-O-(2,6-diamino-2,4,6-trideoxy-alpha-D-xylo-hexopyranosyl-(1-4))-2-deoxy-, sulfate (1:3)
- IUPAC
- 3-amino-6-(aminomethyl)-2-[4,6-diamino-3-(3,4-diamino-5-methoxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxyoxan-4-ol;sulfuric acid
Names & synonyms
Seldomycin-5Antibiotic XK 88-5 trisulfateXX-88-5 trisulfateSeldomycin factor 5 trisulfate56276-27-8D-Streptamine, O-2,3-diamino-2,3-dideoxy-4-O-methyl-alpha-D-xylopyranosyl-(1-6)-O-(2,6-diamino-2,4,6-trideoxy-alpha-D-xylo-hexopyranosyl-(1-4))-2-deoxy-, sulfate (1:3)RefChem:336565DTXSID50971711Sulfuric acid--4,6-diamino-3-[(2,3-diamino-2,3-dideoxy-4-O-methylpentopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxyhexopyranoside (3/1)
Database identifiers
- CAS
56276-27-8- PubChem CID
- 3043878
- DTXSID
DTXSID50971711
Properties
Computed structural properties
- Topological polar surface area
- 492 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 6
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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