ChemSpider 2D Image | Heronamide C | C29H39NO3

Heronamide C

  • Molecular FormulaC29H39NO3
  • Average mass449.625 Da
  • Monoisotopic mass449.292999 Da
  • ChemSpider ID26567466

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3E,5E,7E,9R,10S,11Z,13E,15E,17E,20R)-9,10-Dihydroxy-7,15-dimethyl-20-[(2E,4E)-2,4-octadien-1-yl]azacycloicosa-3,5,7,11,13,15,17-heptaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7E,9R,10S,11Z,13E,15E,17E,20R)-9,10-Dihydroxy-7,15-dimethyl-20-[(2E,4E)-2,4-octadien-1-yl]azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one [ACD/IUPAC Name]
(3E,5E,7E,9R,10S,11Z,13E,15E,17E,20R)-9,10-Dihydroxy-7,15-diméthyl-20-[(2E,4E)-2,4-octadién-1-yl]azacycloicosa-3,5,7,11,13,15,17-heptaén-2-one [French] [ACD/IUPAC Name]
Azacycloeicosa-3,5,7,11,13,15,17-heptaen-2-one, 9,10-dihydroxy-7,15-dimethyl-20-[(2E,4E)-2,4-octadien-1-yl]-, (3E,5E,7E,9R,10S,11Z,13E,15E,17E,20R)- [ACD/Index Name]
Heronamide C
1257083-94-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3816.50
ACD/KOC (pH 5.5): 12745.31
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3816.49
ACD/KOC (pH 7.4): 12745.27
Polar Surface Area: 70 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 454.2±3.0 cm3

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