ChemSpider 2D Image | (4R,7S,10R)-4-Benzyl-17-(2-hydroxy-6-methoxybenzoyl)-7-isobutyl-10-methyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone | C38H47N5O7

(4R,7S,10R)-4-Benzyl-17-(2-hydroxy-6-methoxybenzoyl)-7-isobutyl-10-methyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

  • Molecular FormulaC38H47N5O7
  • Average mass685.809 Da
  • Monoisotopic mass685.347534 Da
  • ChemSpider ID71345780

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,7S,10R)-4-Benzyl-17-(2-hydroxy-6-methoxybenzoyl)-7-isobutyl-10-methyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-trien-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(4R,7S,10R)-4-Benzyl-17-(2-hydroxy-6-methoxybenzoyl)-7-isobutyl-10-methyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone [ACD/IUPAC Name]
(4R,7S,10R)-4-Benzyl-17-(2-hydroxy-6-méthoxybenzoyl)-7-isobutyl-10-méthyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
3,6,9,12,17-Pentaazabicyclo[17.2.2]tricosa-19,21,22-triene-2,5,8,11-tetrone, 17-(2-hydroxy-6-methoxybenzoyl)-10-methyl-7-(2-methylpropyl)-4-(phenylmethyl)-, (4R,7S,10R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1040.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.4±3.0 kJ/mol
Flash Point: 583.1±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.30
ACD/KOC (pH 5.5): 844.92
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 72.38
ACD/KOC (pH 7.4): 708.69
Polar Surface Area: 166 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 596.7±3.0 cm3

Click to predict properties on the Chemicalize site


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