Found 129 results

Search term: MF = 'C_{31}H_{38}N_{6}O_{5}'
ChemSpider 2D Image | (4S,7S,10R)-7,10-Dibenzyl-4-methyl-15-propyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone | C31H38N6O5

(4S,7S,10R)-7,10-Dibenzyl-4-methyl-15-propyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID71277018

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,7S,10R)-7,10-Dibenzyl-4-methyl-15-propyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dien-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(4S,7S,10R)-7,10-Dibenzyl-4-methyl-15-propyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone [ACD/IUPAC Name]
(4S,7S,10R)-7,10-Dibenzyl-4-méthyl-15-propyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
18-Oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]eicosa-17(20),19-diene-2,5,8,11-tetrone, 4-methyl-7,10-bis(phenylmethyl)-15-propyl-, (4S,7S,10R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 949.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 528.0±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 37.04
Polar Surface Area: 146 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 499.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement