ChemSpider 2D Image | 15,24-Dihydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl N-(cyclohexylcarbonyl)-D-alaninate | C36H48N2O9

15,24-Dihydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl N-(cyclohexylcarbonyl)-D-alaninate

  • Molecular FormulaC36H48N2O9
  • Average mass652.774 Da
  • Monoisotopic mass652.335999 Da
  • ChemSpider ID4952055

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 5 defined stereocentres

More details:

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

15,24-Dihydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl N-(cyclohexylcarbonyl)-D-alaninate [ACD/IUPAC Name]
15,24-Dihydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl-N-(cyclohexylcarbonyl)-D-alaninat [German] [ACD/IUPAC Name]
D-Alanine, N-(cyclohexylcarbonyl)-, 15,24-dihydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20(24),23-hexaen-13-yl ester [ACD/Index Name]
N-(Cyclohexylcarbonyl)-D-alaninate de 15,24-dihydroxy-5-méthoxy-14,16-diméthyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tétracosa-1(23),6,8,10,16,20(24)-hexaén-13-yle [French] [ACD/IUPAC Name]
178550-61-3 [RN]
D-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with 19-hydroxyansatrienol A, (all-ξ)-
Hydroxymycotrienin A
N-(Cyclohexylcarbonyl)-D-alanine 11-ester with 19-hydroxyansatrienol A (all-ξ)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 823.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.1±6.0 kJ/mol
Flash Point: 451.6±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 175.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 13.00
ACD/KOC (pH 5.5): 95.78
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 168 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 527.4±5.0 cm3

Click to predict properties on the Chemicalize site


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