ChemSpider 2D Image | (9R)-14-[(3-Cyclopropyl-1,2-oxazol-5-yl)carbonyl]-9-isobutyl-18,19-dimethoxy-4,8,11,14-tetraazatricyclo[14.3.1.1~2,6~]henicosa-1(20),2(21),3,5,16,18-hexaene-7,10-dione | C30H35N5O6

(9R)-14-[(3-Cyclopropyl-1,2-oxazol-5-yl)carbonyl]-9-isobutyl-18,19-dimethoxy-4,8,11,14-tetraazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-7,10-dione

  • Molecular FormulaC30H35N5O6
  • Average mass561.629 Da
  • Monoisotopic mass561.258728 Da
  • ChemSpider ID71276183

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R)-14-[(3-Cyclopropyl-1,2-oxazol-5-yl)carbonyl]-9-isobutyl-18,19-dimethoxy-4,8,11,14-tetraazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaen-7,10-dion [German] [ACD/IUPAC Name]
(9R)-14-[(3-Cyclopropyl-1,2-oxazol-5-yl)carbonyl]-9-isobutyl-18,19-dimethoxy-4,8,11,14-tetraazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-7,10-dione [ACD/IUPAC Name]
(9R)-14-[(3-Cyclopropyl-1,2-oxazol-5-yl)carbonyl]-9-isobutyl-18,19-diméthoxy-4,8,11,14-tétraazatricyclo[14.3.1.12,6]hénicosa-1(20),2(21),3,5,16,18-hexaène-7,10-dione [French] [ACD/IUPAC Name]
4,8,11,14-Tetraazatricyclo[14.3.1.12,6]heneicosa-1(20),2,4,6(21),16,18-hexaene-7,10-dione, 14-[(3-cyclopropyl-5-isoxazolyl)carbonyl]-18,19-dimethoxy-9-(2-methylpropyl)-, (9R)- [ACD/Index Name]
(9R)-14-[(3-cyclopropyl-5-isoxazolyl)carbonyl]-9-isobutyl-18,19-dimethoxy-4,8,11,14-tetraazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-7,10-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 885.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 489.3±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 149.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 151.56
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.65
ACD/KOC (pH 7.4): 148.30
Polar Surface Area: 136 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 459.6±3.0 cm3

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