ChemSpider 2D Image | Ansatrienin A | C36H48N2O8

Ansatrienin A

  • Molecular FormulaC36H48N2O8
  • Average mass636.775 Da
  • Monoisotopic mass636.341064 Da
  • ChemSpider ID4445296

  • 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,6E,8E,10E,13S,14R,15R,16Z)-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-(cyclohexylcarbonyl)-D-alaninate [ACD/IUPAC Name]
(5R,6E,8E,10E,13S,14R,15R,16Z)-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-(cyclohexylcarbonyl)-D-alaninat [German] [ACD/IUPAC Name]
82189-03-5 [RN]
Ansatrienin A
D-Alanine, N-(cyclohexylcarbonyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-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-(Cyclohexylcarbonyl)-D-alaninate de (5R,6E,8E,10E,13S,14R,15R,16Z)-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]
80111-47-3 [RN]

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

C12098 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 845.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.7±6.0 kJ/mol
Flash Point: 465.2±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 174.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 924.43
ACD/KOC (pH 5.5): 4619.23
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 923.00
ACD/KOC (pH 7.4): 4612.09
Polar Surface Area: 148 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 530.4±5.0 cm3

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