ChemSpider 2D Image | N-Me-trichodermamide B | C21H21ClN2O8

N-Me-trichodermamide B

  • Molecular FormulaC21H21ClN2O8
  • Average mass464.853 Da
  • Monoisotopic mass464.098633 Da
  • ChemSpider ID64063260

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,5R,8R,8aS)-5-Chlor-N-(7,8-dimethoxy-2-oxo-2H-chromen-3-yl)-4a,8-dihydroxy-N-methyl-4a,5,8,8a-tetrahydro-4H-1,2-benzoxazin-3-carboxamid [German] [ACD/IUPAC Name]
(4aR,5R,8R,8aS)-5-Chloro-N-(7,8-dimethoxy-2-oxo-2H-chromen-3-yl)-4a,8-dihydroxy-N-methyl-4a,5,8,8a-tetrahydro-4H-1,2-benzoxazine-3-carboxamide [ACD/IUPAC Name]
(4aR,5R,8R,8aS)-5-Chloro-N-(7,8-diméthoxy-2-oxo-2H-chromén-3-yl)-4a,8-dihydroxy-N-méthyl-4a,5,8,8a-tétrahydro-4H-1,2-benzoxazine-3-carboxamide [French] [ACD/IUPAC Name]
4H-1,2-Benzoxazine-3-carboxamide, 5-chloro-N-(7,8-dimethoxy-2-oxo-2H-1-benzopyran-3-yl)-4a,5,8,8a-tetrahydro-4a,8-dihydroxy-N-methyl-, (4aR,5R,8R,8aS)- [ACD/Index Name]
N-Me-trichodermamide B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 686.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 368.9±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 49.27
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 49.27
Polar Surface Area: 127 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 299.0±7.0 cm3

Click to predict properties on the Chemicalize site


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