ChemSpider 2D Image | (7S,10R,12aS,19S)-10-Isopropyl-7-methyl-9,12,17,21-tetraoxo-7,8,9,10,11,12,12a,13,14,15,18,19,20,21-tetradecahydro-6H,17H-pyrrolo[2,1-i][1,4,7,10,14]benzoxatetraazacycloheptadecine-19-carboxylic acid | C24H32N4O7

(7S,10R,12aS,19S)-10-Isopropyl-7-methyl-9,12,17,21-tetraoxo-7,8,9,10,11,12,12a,13,14,15,18,19,20,21-tetradecahydro-6H,17H-pyrrolo[2,1-i][1,4,7,10,14]benzoxatetraazacycloheptadecine-19-carboxylic acid

  • Molecular FormulaC24H32N4O7
  • Average mass488.534 Da
  • Monoisotopic mass488.227112 Da
  • ChemSpider ID80822941

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7S,10R,12aS,19S)-10-Isopropyl-7-methyl-9,12,17,21-tetraoxo-7,8,9,10,11,12,12a,13,14,15,18,19,20,21-tetradecahydro-6H,17H-pyrrolo[2,1-i][1,4,7,10,14]benzoxatetraazacycloheptadecin-19-carbonsäure [German] [ACD/IUPAC Name]
(7S,10R,12aS,19S)-10-Isopropyl-7-methyl-9,12,17,21-tetraoxo-7,8,9,10,11,12,12a,13,14,15,18,19,20,21-tetradecahydro-6H,17H-pyrrolo[2,1-i][1,4,7,10,14]benzoxatetraazacycloheptadecine-19-carboxylic acid [ACD/IUPAC Name]
6H,17H-Pyrrolo[2,1-i][1,4,7,10,14]benzoxatetraazacycloheptadecine-19-carboxylic acid, 7,8,9,10,11,12,12a,13,14,15,18,19,20,21-tetradecahydro-7-methyl-10-(1-methylethyl)-9,12,17,21-tetraoxo-, (7S,10R,1 2aS,19S)- [ACD/Index Name]
Acide (7S,10R,12aS,19S)-10-isopropyl-7-méthyl-9,12,17,21-tétraoxo-7,8,9,10,11,12,12a,13,14,15,18,19,20,21-tétradécahydro-6H,17H-pyrrolo[2,1-i][1,4,7,10,14]benzoxatétraazacycloheptadécine-19-carboxyliq ue [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 901.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 498.9±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 365.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement