ChemSpider 2D Image | 6'-N-5-Hexynoate kanamycin A | C24H43N5O11

6'-N-5-Hexynoate kanamycin A

  • Molecular FormulaC24H43N5O11
  • Average mass577.625 Da
  • Monoisotopic mass577.295898 Da
  • ChemSpider ID30646681
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2,6-dideoxy-6-(5-hexynoylamino)-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-desoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl-2-amino-2,6-didesoxy-6-(5-hexynoylamino)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Amino-2,6-didésoxy-6-(5-hexynoylamino)-α-D-glucopyranoside de (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-désoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
6'-N-5-Hexynoate kanamycin A
α-D-Glucopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2,6-dideoxy-6-[(1-oxo-5-hexyn-1-yl)amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 910.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.3±6.0 kJ/mol
Flash Point: 504.4±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 15
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.24
ACD/LogD (pH 5.5): -9.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 89.7±5.0 dyne/cm
Molar Volume: 385.9±5.0 cm3

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