ChemSpider 2D Image | (17R,17aS)-17-Amino-11-[1-(3,3-dimethylbutanoyl)-4-piperidinyl]decahydro-9H-pyrrolo[2,1-i][1,4,7,10,13]dioxatriazacyclopentadecine-1,10,13(2H)-trione | C24H41N5O6

(17R,17aS)-17-Amino-11-[1-(3,3-dimethylbutanoyl)-4-piperidinyl]decahydro-9H-pyrrolo[2,1-i][1,4,7,10,13]dioxatriazacyclopentadecine-1,10,13(2H)-trione

  • Molecular FormulaC24H41N5O6
  • Average mass495.612 Da
  • Monoisotopic mass495.305695 Da
  • ChemSpider ID84487789

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(17R,17aS)-17-Amino-11-[1-(3,3-dimethylbutanoyl)-4-piperidinyl]decahydro-9H-pyrrolo[2,1-i][1,4,7,10,13]dioxatriazacyclopentadecin-1,10,13(2H)-trion [German] [ACD/IUPAC Name]
(17R,17aS)-17-Amino-11-[1-(3,3-dimethylbutanoyl)-4-piperidinyl]decahydro-9H-pyrrolo[2,1-i][1,4,7,10,13]dioxatriazacyclopentadecine-1,10,13(2H)-trione [ACD/IUPAC Name]
(17R,17aS)-17-Amino-11-[1-(3,3-diméthylbutanoyl)-4-pipéridinyl]décahydro-9H-pyrrolo[2,1-i][1,4,7,10,13]dioxatriazacyclopentadécine-1,10,13(2H)-trione [French] [ACD/IUPAC Name]
9H-Pyrrolo[2,1-i][1,4,7,10,13]dioxatriazacyclopentadecine-1,10,13(2H)-trione, 17-amino-11-[1-(3,3-dimethyl-1-oxobutyl)-4-piperidinyl]decahydro-, (17R,17aS)- [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: 784.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.5±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.76
Polar Surface Area: 135 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 397.6±5.0 cm3

Click to predict properties on the Chemicalize site


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