ChemSpider 2D Image | (1S,2R,3R,4S,6R)-4,6-Diammonio-3-[(6-ammonio-6-deoxy-alpha-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl 3-ammonio-3-deoxy-alpha-D-glucopyranoside | C18H38N4O11

(1S,2R,3R,4S,6R)-4,6-Diammonio-3-[(6-ammonio-6-deoxy-α-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl 3-ammonio-3-deoxy-α-D-glucopyranoside

  • Molecular FormulaC18H38N4O11
  • Average mass486.512 Da
  • Monoisotopic mass486.251526 Da
  • ChemSpider ID28639114

  • Charge - Charge

    defined stereocentres - 14 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2R,3R,4S,6R)-4,6-Diammonio-3-[(6-ammonio-6-deoxy-α-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl 3-ammonio-3-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,3R,4S,6R)-4,6-Diammonio-3-[(6-ammonio-6-desoxy-α-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl-3-ammonio-3-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
3-Ammonio-3-désoxy-α-D-glucopyranoside de (1S,2R,3R,4S,6R)-4,6-diammonio-3-[(6-ammonio-6-désoxy-α-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-α-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-, conjugate tetraacid [ACD/Index Name]
(1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-[(6-azaniumyl-6-deoxy-α-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-α-D-glucopyranoside
2'-dehydrokanamycin A
2'-dehydrokanamycin A(4+)
2'-ketokanamycin(4+)
2'-oxokanamycin(4+)
  • Miscellaneous

    • Chemical Class:

      A quadruply-charged organic cation arising from protonation of the four amino groups of 2'-oxokanamycin A; major species at pH 7.3. ChEBI CHEBI:72757

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 824.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 452.4±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 14
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -9.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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