Found 132 results

Search term: MF = 'C_{32}H_{39}NO_{5}'
ChemSpider 2D Image | (5R)-9-Formyl-2-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}ethyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylic acid | C32H39NO5

(5R)-9-Formyl-2-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}ethyl)-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

  • Molecular FormulaC32H39NO5
  • Average mass517.656 Da
  • Monoisotopic mass517.282837 Da
  • ChemSpider ID4439667

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(5R)-9-Formyl-2-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}ethyl)-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-en-1-carbonsäure [German] [ACD/IUPAC Name]
(5R)-9-Formyl-2-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}ethyl)-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid [ACD/IUPAC Name]
(7R)-4-formyl-8a-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}ethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid
1H-Indole-3-propanoic acid, 2-[(7R)-3a-carboxy-4-formyl-3a,4,4a,5,6,7,7a,8-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacen-8a(1H)-yl]ethyl ester [ACD/Index Name]
Acide (5R)-9-formyl-2-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}éthyl)-13-isopropyl-5-méthyltétracyclo[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylique [French] [ACD/IUPAC Name]
1-formyl-8-{2-[2-(1H-3-indolyl)ethylcarbonyloxy]ethyl}-10-isopropyl-5-methyl-(5R)-tetracyclo[7.4.0.02,6.08,12]tridec-10-ene-9-carboxylic acid

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

AIDS228116 [DBID]
AIDS-228116 [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: 672.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.6±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 788.98
ACD/KOC (pH 5.5): 1481.82
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 15.28
ACD/KOC (pH 7.4): 28.70
Polar Surface Area: 96 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 403.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement