Siseptin

HCID 65334CAS 53179-09-2
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Basic information

Standard SMILES
CN[C@@H]1[C@@H](O)[C@@H](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
InChIKey
JVTNJDPXUPRGIE-XMKQNZKISA-N
Molecular formula
C19H39N5O11S
Average molar mass
545.6 g/mol

Names & identifiers

Preferred name
Siseptin
IUPAC
(2R,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-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid

Names & synonyms

SiseptinSisomicin sulfate salt(2R,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-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acidSCHEMBL28801778JVTNJDPXUPRGIE-XMKQNZKISA-NAKOS026750063

Database identifiers

CAS
53179-09-2
PubChem CID
65334

Properties

Computed structural properties

Topological polar surface area
297 Ų
Hydrogen bond donors
10
Hydrogen bond acceptors
16
Rotatable bonds
6
Heavy atoms
36

Related reactions

1 records
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Linked notes

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