ChemSpider 2D Image | N-[(3S,4R,4aR,6S)-3-(Dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-L-alaninamide | C14H20Cl2N2O5

N-[(3S,4R,4aR,6S)-3-(Dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-L-alaninamide

  • Molecular FormulaC14H20Cl2N2O5
  • Average mass367.225 Da
  • Monoisotopic mass366.074921 Da
  • ChemSpider ID57523237

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(3S,4R,4aR,6S)-3-(Dichlormethyl)-6,8-dihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-L-alaninamid [German] [ACD/IUPAC Name]
N-[(3S,4R,4aR,6S)-3-(Dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromen-4-yl]-L-alaninamide [ACD/IUPAC Name]
N-[(3S,4R,4aR,6S)-3-(Dichlorométhyl)-6,8-dihydroxy-3-méthyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-isochromén-4-yl]-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-6,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, (2S)- [ACD/Index Name]
(2S)-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide
74141-69-8 [RN]

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

Y 14556 [DBID]
Y-14556 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 657.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 351.6±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 247.7±5.0 cm3

Click to predict properties on the Chemicalize site


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