5-Deoxygentamicin C1

HCID 3045458

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Basic information

CAS: 60768-21-0
Standard SMILES: CNC(C)C1CCC(N)C(OC2CC(OC3OCC(C)(O)C(NC)C3O)C(N)C(O)C2N)O1
InChIKey: XKXZNTULXUJLSZ-UHFFFAOYSA-N
Molecular formula: C21H43N5O7
Average molar mass: 477.6 g/mol
Monoisotopic mass: 477.31624873

Names & identifiers

Preferred name: 5-Deoxygentamicin C1
IUPAC: 2-[2,4-diamino-5-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-3-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

Names & synonyms

5-Deoxygentamicin C(sub 1)5-Deoxygentamicin C160768-21-0D-Streptamine, O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2,5-dideoxy-RefChem:302783DTXSID509762412,4-Diamino-5-{[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside

Database identifiers

CAS: 60768-21-0
PubChem CID: 3045458
DTXSID: DTXSID50976241

Properties

Computed structural properties

XLogP: -4.1
Topological polar surface area: 200 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 12
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 636

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