Found 1 result

Search term: 78443058 (Found by CSID)
ChemSpider 2D Image | (5R,6E,10Z,13S,14S,15R,16E)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl N-[(2S)-2-methylbutanoyl]-L-alaninate | C34H46N2O8

(5R,6E,10Z,13S,14S,15R,16E)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl N-[(2S)-2-methylbutanoyl]-L-alaninate

  • Molecular FormulaC34H46N2O8
  • Average mass610.738 Da
  • Monoisotopic mass610.325439 Da
  • ChemSpider ID78443058

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R,6E,10Z,13S,14S,15R,16E)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl N-[(2S)-2-methylbutanoyl]-L-alaninate [ACD/IUPAC Name]
(5R,6E,10Z,13S,14S,15R,16E)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl-N-[(2S)-2-methylbutanoyl]-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(2S)-2-methyl-1-oxobutyl]-, (5R,6E,10Z,13S,14S,15R,16E)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20,23-hexaen-13-yl ester [ACD/Index Name]
N-[(2S)-2-Méthylbutanoyl]-L-alaninate de (5R,6E,10Z,13S,14S,15R,16E)-15-hydroxy-5-méthoxy-14,16-diméthyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tétracosa-1(23),6,8,10,16,20-hexaén-13-yle [French] [ACD/IUPAC Name]
Ansatrienin A2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 812.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.5±6.0 kJ/mol
Flash Point: 445.4±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 202.64
ACD/KOC (pH 5.5): 1558.68
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.33
ACD/KOC (pH 7.4): 1556.27
Polar Surface Area: 148 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 517.2±5.0 cm3

Click to predict properties on the Chemicalize site


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