ChemSpider 2D Image | (4R,8Z)-2-Amino-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile | C27H29N3O5

(4R,8Z)-2-Amino-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

  • Molecular FormulaC27H29N3O5
  • Average mass475.536 Da
  • Monoisotopic mass475.210724 Da
  • ChemSpider ID62684588

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R,8Z)-2-Amino-8-(3,4-dimethoxybenzyliden)-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridin-3-carbonitril [German] [ACD/IUPAC Name]
(4R,8Z)-2-Amino-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile [ACD/IUPAC Name]
(4R,8Z)-2-Amino-8-(3,4-diméthoxybenzylidène)-4-(3,4-diméthoxyphényl)-6-méthyl-5,6,7,8-tétrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile [French] [ACD/IUPAC Name]
4H-Pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylene]-5,6,7,8-tetrahydro-6-methyl-, (4R,8Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 18.84
ACD/KOC (pH 5.5): 158.42
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 136.43
ACD/KOC (pH 7.4): 1146.96
Polar Surface Area: 99 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 368.4±5.0 cm3

Click to predict properties on the Chemicalize site


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