Found 372 results

Search term: MF = 'C_{31}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | 12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxo-9,10-dihydroergotaman | C31H41N5O5

12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxo-9,10-dihydroergotaman

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID4926583

More details:

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

12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxo-9,10-dihydroergotaman [ACD/IUPAC Name]
12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxo-9,10-dihydroergotaman [German] [ACD/IUPAC Name]
12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxo-9,10-dihydroergotaman [French] [ACD/IUPAC Name]
Ergotaman, 9,10-dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)-3',6',18-trioxo- [ACD/Index Name]
9,10-Dihydroergocornine
D.H.O. 180
Dihydroergocornine [Wiki]
Ergocornine, 9,10-dihydro-
Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'α,10α)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 844.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 464.6±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.46
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 33.99
ACD/KOC (pH 7.4): 363.74
Polar Surface Area: 118 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 408.2±5.0 cm3

Click to predict properties on the Chemicalize site


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