ChemSpider 2D Image | N-{(2E,6E)-3,7-Dimethyl-9-[(1R,6S)-1,2,6-trimethyl-2-cyclohexen-1-yl]-2,6-nonadien-1-yl}-N-[4-(isopropylamino)-6-(methylamino)-5-pyrimidinyl]formamide | C29H47N5O

N-{(2E,6E)-3,7-Dimethyl-9-[(1R,6S)-1,2,6-trimethyl-2-cyclohexen-1-yl]-2,6-nonadien-1-yl}-N-[4-(isopropylamino)-6-(methylamino)-5-pyrimidinyl]formamide

  • Molecular FormulaC29H47N5O
  • Average mass481.716 Da
  • Monoisotopic mass481.378052 Da
  • ChemSpider ID29215557

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Formamide, N-[(2E,6E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethyl-2-cyclohexen-1-yl]-2,6-nonadien-1-yl]-N-[4-(methylamino)-6-[(1-methylethyl)amino]-5-pyrimidinyl]- [ACD/Index Name]
N-{(2E,6E)-3,7-Dimethyl-9-[(1R,6S)-1,2,6-trimethyl-2-cyclohexen-1-yl]-2,6-nonadien-1-yl}-N-[4-(isopropylamino)-6-(methylamino)-5-pyrimidinyl]formamid [German] [ACD/IUPAC Name]
N-{(2E,6E)-3,7-Dimethyl-9-[(1R,6S)-1,2,6-trimethyl-2-cyclohexen-1-yl]-2,6-nonadien-1-yl}-N-[4-(isopropylamino)-6-(methylamino)-5-pyrimidinyl]formamide [ACD/IUPAC Name]
N-{(2E,6E)-3,7-Diméthyl-9-[(1R,6S)-1,2,6-triméthyl-2-cyclohexén-1-yl]-2,6-nonadién-1-yl}-N-[4-(isopropylamino)-6-(méthylamino)-5-pyrimidinyl]formamide [French] [ACD/IUPAC Name]
axistatin 3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 637.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 10.55
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1484947.00
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1640920.00
Polar Surface Area: 70 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 467.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement