ChemSpider 2D Image | (5'S,10R,11S,12S,12bS)-2,2'-Diamino-10-(aminomethyl)-11-chloro-5'-hydroxy-1',3a,5',6,9a,10,11,12a-octahydro-9H-spiro[cyclopenta[a]imidazo[4,5-h]pyrrolo[2,3-f]indolizine-12,4'-imidazol]-7(1H)-one | C17H22ClN9O2

(5'S,10R,11S,12S,12bS)-2,2'-Diamino-10-(aminomethyl)-11-chloro-5'-hydroxy-1',3a,5',6,9a,10,11,12a-octahydro-9H-spiro[cyclopenta[a]imidazo[4,5-h]pyrrolo[2,3-f]indolizine-12,4'-imidazol]-7(1H)-one

  • Molecular FormulaC17H22ClN9O2
  • Average mass419.869 Da
  • Monoisotopic mass419.158508 Da
  • ChemSpider ID74056536

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(5'S,10R,11S,12S,12bS)-2,2'-Diamino-10-(aminomethyl)-11-chloro-5'-hydroxy-1',3a,5',6,9a,10,11,12a-octahydro-9H-spiro[cyclopenta[a]imidazo[4,5-h]pyrrolo[2,3-f]indolizine-12,4'-imidazol]-7(1H)-one [ACD/IUPAC Name]
Spiro[cyclopent[a]imidazo[4,5-h]pyrrolo[2,3-f]indolizine-12(9H),4'-[4H]imidazol]-7(1H)-one, 2,2'-diamino-10-(aminomethyl)-11-chloro-1',3a,5',6,9a,10,11,12a-octahydro-5'-hydroxy-, (5'S,10R,11S,12S,12bS )- [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 825.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.3±37.1 °C
Index of Refraction: 2.202
Molar Refractivity: 97.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 10
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -4.30
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 183 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 146.4±7.0 dyne/cm
Molar Volume: 174.3±7.0 cm3

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