ChemSpider 2D Image | (5S)-5-Amino-N~2~-[(3S,4S,5S,6S)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-4-oxo-L-norleucinamide | C17H25Cl2N3O7

(5S)-5-Amino-N2-[(3S,4S,5S,6S)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-4-oxo-L-norleucinamide

  • Molecular FormulaC17H25Cl2N3O7
  • Average mass454.302 Da
  • Monoisotopic mass453.106964 Da
  • ChemSpider ID21243648

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5S)-5-Amino-N2-[(3S,4S,5S,6S)-3-(dichlormethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-4-oxo-L-norleucinamid [German] [ACD/IUPAC Name]
(5S)-5-Amino-N2-[(3S,4S,5S,6S)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-4-oxo-L-norleucinamide [ACD/IUPAC Name]
(5S)-5-Amino-N2-[(3S,4S,5S,6S)-3-(dichlorométhyl)-5,6,8-trihydroxy-3-méthyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromén-4-yl]-4-oxo-L-norleucinamide [French] [ACD/IUPAC Name]
Hexanamide, 5-amino-2-[[(3S,4S,5S,6S)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]amino]-4-oxo-, (2S,5S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 749.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 407.3±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 295.2±5.0 cm3

Click to predict properties on the Chemicalize site


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