Basic information
- CAS
69375-05-9- Standard SMILES
CNC1CC(N)C(OC2OCC(C)(O)C(NC)C2O)C(O)C1OC1OC(CN)CCC1N- InChIKey
CRXGSOIRPYQOTQ-UHFFFAOYSA-N- Molecular formula
- C20H41N5O7
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.30059866
Names & identifiers
- Preferred name
- Antibiotic XK 62-3
- IUPAC
- 2-[6-amino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-4-(methylamino)cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
- English name
- 4-O-(2,6-Diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)-6-O-(4-C-methyl-3-methylamino-3-deoxy-β-D-arabino-pentopyranosyl)-N'-methyl-2-deoxy-D-streptamine
- Molecular formula
- C20H41N5O7
- Molecular weight
- 463.58
Names & synonyms
ANTIBIOTIC XK 62-3XK-62-369375-05-9RefChem:319883Antibiotic XK-62-3Antibiotic XK 62-3 (9CI)4-O-(2,6-Diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyl)-6-O-(4-C-methyl-3-methylamino-3-deoxy-β-D-arabino-pentopyranosyl)-N'-methyl-2-deoxy-D-streptamine
Database identifiers
- CAS
69375-05-9- PubChem CID
- 50464
- DTXSID
DTXSID30989157
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Boiling point
- 676.5 · 676.5±55.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 13.29 · 13.29±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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