ChemSpider 2D Image | Bietaserpine | C39H53N3O9

Bietaserpine

  • Molecular FormulaC39H53N3O9
  • Average mass707.853 Da
  • Monoisotopic mass707.378174 Da
  • ChemSpider ID16735698

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3b,16b,17a,18b,20a)-1-[2-(Diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic Acid Methyl Ester
(3β,16β,17α,18β,20α)-1-[2-(Diéthylamino)éthyl]-11,17-diméthoxy-18-[(3,4,5-triméthoxybenzoyl)oxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
0P5B94FVD5
1-[2-(Diethylamino)ethyl]-18b-hydroxy-11,17a-dimethoxy-3b,20a-yohimban-16b-carboxylic Acid Methyl Ester 3,4,5-Trimethoxybenzoate Ester
1-[2-(Diethylamino)ethyl]reserpine
200-165-0 [EINECS]
53-18-9 [RN]
bietaserpina [Spanish] [INN]
Bietaserpine [INN] [Wiki]
biétaserpine [French] [INN]
More...

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

1686 [DBID]
S 1210 [DBID]
NSC 369865 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.0±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 188.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 6.91
ACD/KOC (pH 7.4): 21.64
Polar Surface Area: 110 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 553.1±7.0 cm3

Click to predict properties on the Chemicalize site


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