ChemSpider 2D Image | 3-Aminopropyl {(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-beta-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}carbamate | C22H43N5O13

3-Aminopropyl {(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-β-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}carbamate

  • Molecular FormulaC22H43N5O13
  • Average mass585.602 Da
  • Monoisotopic mass585.285706 Da
  • ChemSpider ID117209

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

{(1R,2S,3S,4R,5S)-5-Amino-2-[(3-amino-3-désoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-désoxy-β-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}carbamate de 3-aminopropyle [French] [ACD/IUPAC Name]
3-Aminopropyl {(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-β-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}carbamate [ACD/IUPAC Name]
3-Aminopropyl-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-desoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-desoxy-β-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-β-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl]-, 3-aminopropyl ester [ACD/Index Name]
1-N-(3-Aminopropoxycarbonyl)kanamycin A
77987-52-1 [RN]
Apc kanamycin A
D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-α-D-glucopyranosyl-(1-4))-N1-((3-aminopropoxy)carbonyl)-2-deoxy-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 903.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.2±6.0 kJ/mol
Flash Point: 500.4±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 16
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -9.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 96.3±5.0 dyne/cm
Molar Volume: 372.0±5.0 cm3

Click to predict properties on the Chemicalize site


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