Basic information
- CAS
56298-52-3- Standard SMILES
NC1CC(N)C(OC2OC(CO)C(O)C(O)C2N)C(O)C1OC1OCC(O)C(O)C1N.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
SCMVDTNSYRYJLC-UHFFFAOYSA-N- Molecular formula
- C17H38N4O18S2
- Average molar mass
- 650.6 g/mol
- Monoisotopic mass
- 650.16225272
Names & identifiers
- Preferred name
- Seldomycin-1
- IUPAC
- 5-amino-6-[4,6-diamino-3-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;sulfuric acid
Names & synonyms
XX 88-1 disulfateSeldomycin-1Antibiotic XK 88-1 disulfate56298-52-3D-Streptamine, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2-amino-2-deoxy-alpha-D-xylopyranosyl-(1-6))-2-deoxy-, sulfate (1:2)RefChem:380051SCHEMBL29885029DTXSID70971738Sulfuric acid--4,6-diamino-3-[(2-amino-2-deoxypentopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside (2/1)
Database identifiers
- CAS
56298-52-3- PubChem CID
- 3043884
- DTXSID
DTXSID70971738
Properties
Computed structural properties
- Topological polar surface area
- 428 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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