ChemSpider 2D Image | (5R,13S,14S,15R)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(4-methylpentanoyl)-D-alaninate | C35H50N2O7

(5R,13S,14S,15R)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(4-methylpentanoyl)-D-alaninate

  • Molecular FormulaC35H50N2O7
  • Average mass610.781 Da
  • Monoisotopic mass610.361816 Da
  • ChemSpider ID4952496

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5R,13S,14S,15R)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(4-methylpentanoyl)-D-alaninate [ACD/IUPAC Name]
(5R,13S,14S,15R)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl-N-(4-methylpentanoyl)-D-alaninat [German] [ACD/IUPAC Name]
D-Alanine, N-(4-methyl-1-oxopentyl)-, (5R,13S,14S,15R)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl ester [ACD/Index Name]
N-(4-Méthylpentanoyl)-D-alaninate de (5R,13S,14S,15R)-15,22-dihydroxy-5-méthoxy-14,16-diméthyl-3-oxo-2-azabicyclo[18.3.1]tétracosa-1(24),6,8,10,16,20,22-heptaén-13-yle [French] [ACD/IUPAC Name]
107140-29-4 [RN]
D-Alanine, N-(4-methyl-1-oxopentyl)-, 11-ester with 20,23-didehydro-20,23-dideoxo-20-hydroxyansatrienol A
Trienomycin E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 794.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 434.2±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 172.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3863.70
ACD/KOC (pH 5.5): 12857.66
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3842.99
ACD/KOC (pH 7.4): 12788.73
Polar Surface Area: 134 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 530.3±5.0 cm3

Click to predict properties on the Chemicalize site


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