ChemSpider 2D Image | (E)-N-[(1R,2S,3R,4R,5S,6R)-4-Amino-3-({(2R,3S,6S)-3-amino-6-[(1R)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N~2~-(aminomethylene)-N-methylglycinamide | C18H36N6O6

(E)-N-[(1R,2S,3R,4R,5S,6R)-4-Amino-3-({(2R,3S,6S)-3-amino-6-[(1R)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N2-(aminomethylene)-N-methylglycinamide

  • Molecular FormulaC18H36N6O6
  • Average mass432.515 Da
  • Monoisotopic mass432.269623 Da
  • ChemSpider ID78442956

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(E)-N-[(1R,2S,3R,4R,5S,6R)-4-Amino-3-({(2R,3S,6S)-3-amino-6-[(1R)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N2-(aminomethylen)-N-methylglycinamid [German] [ACD/IUPAC Name]
(E)-N-[(1R,2S,3R,4R,5S,6R)-4-Amino-3-({(2R,3S,6S)-3-amino-6-[(1R)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N2-(aminomethylene)-N-methylglycinamide [ACD/IUPAC Name]
(E)-N-[(1R,2S,3R,4R,5S,6R)-4-Amino-3-({(2R,3S,6S)-3-amino-6-[(1R)-1-aminoéthyl]tétrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-méthoxycyclohexyl]-N2-(aminométhylène)-N-méthylglycinamide [French] [ACD/IUPAC Name]
Acetamide, N-[(1R,2S,3R,4R,5S,6R)-4-amino-3-[(2,6-diamino-2,3,4,6,7-pentadeoxy-α-D-arabino-heptopyranosyl)oxy]-2,5-dihydroxy-6-methoxycyclohexyl]-2-[[(1E)-aminomethylene]amino]-N-methyl- [ACD/Index Name]
1-Epidactimicin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 658.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±6.0 kJ/mol
Flash Point: 352.3±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -8.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 276.5±7.0 cm3

Click to predict properties on the Chemicalize site


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