Found 594 results

Search term: MF = 'C_{32}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | 8-[(2S,9R,10R)-3,15-Diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-en-3-ylmethyl]-3-hexyl-7-hydroxy-4-methyl-2H-chromen-2-one | C32H44N2O3

8-[(2S,9R,10R)-3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-ylmethyl]-3-hexyl-7-hydroxy-4-methyl-2H-chromen-2-one

  • Molecular FormulaC32H44N2O3
  • Average mass504.703 Da
  • Monoisotopic mass504.335205 Da
  • ChemSpider ID58173728

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 8-[[(6R,6aR,13aS)-3,4,6,6a,7,9,10,12,13,13a-decahydro-6,13-methano-2H-dipyrido[1,2-a:3',2'-e]azocin-1(8H)-yl]methyl]-3-hexyl-7-hydroxy-4-methyl- [ACD/Index Name]
8-[(2S,9R,10R)-3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-ylmethyl]-3-hexyl-7-hydroxy-4-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-[(2S,9R,10R)-3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-ylmethyl]-3-hexyl-7-hydroxy-4-methyl-2H-chromen-2-one [ACD/IUPAC Name]
8-[(2S,9R,10R)-3,15-Diazatétracyclo[7.7.1.02,7.010,15]heptadéc-7-én-3-ylméthyl]-3-hexyl-7-hydroxy-4-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
8-[(6R,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylmethyl]-3-hexyl-7-hydroxy-4-methyl-2H-chromen-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 357.1±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 137.84
ACD/KOC (pH 5.5): 127.69
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 2134.06
ACD/KOC (pH 7.4): 1976.95
Polar Surface Area: 53 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 419.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement