Streptomycin B sulfate
Basic information
- CAS
7142-95-2- Standard SMILES
CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.O=S(=O)(O)O- InChIKey
JPHRXIHMGXKDDR-UHFFFAOYSA-N- Molecular formula
- C27H51N7O21S
- Average molar mass
- 841.8 g/mol
- Monoisotopic mass
- 841.28587283
Names & identifiers
- Preferred name
- Streptomycin B sulfate
- IUPAC
- 2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;sulfuric acid
Names & synonyms
Streptomycin B sulfateNSC421327142-95-2DTXSID20991784NSC-42132Sulfuric acid--N,N'-(4-{[hexopyranosyl-(1->4)-2-deoxy-2-(methylamino)hexopyranosyl-(1->2)-5-deoxy-3-C-formylpentofuranosyl]oxy}-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine (1/1)
Database identifiers
- CAS
7142-95-2- PubChem CID
- 238010
- DTXSID
DTXSID20991784
Properties
Computed structural properties
- Topological polar surface area
- 499 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 12
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,320
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Compound notes
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