ChemSpider 2D Image | haenamindole | C29H28N4O5

haenamindole

  • Molecular FormulaC29H28N4O5
  • Average mass512.556 Da
  • Monoisotopic mass512.205994 Da
  • ChemSpider ID40256692

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,6R)-3-Benzyl-1-hydroxy-6-{[(2S,10S,10aR)-10-hydroxy-4-oxo-2-phenyl-1,2,3,4,10,10a-hexahydropyrimido[1,2-a]indol-10-yl]methyl}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6R)-3-Benzyl-1-hydroxy-6-{[(2S,10S,10aR)-10-hydroxy-4-oxo-2-phenyl-1,2,3,4,10,10a-hexahydropyrimido[1,2-a]indol-10-yl]methyl}-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6R)-3-Benzyl-1-hydroxy-6-{[(2S,10S,10aR)-10-hydroxy-4-oxo-2-phényl-1,2,3,4,10,10a-hexahydropyrimido[1,2-a]indol-10-yl]méthyl}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 6-[[(2S,10S,10aR)-1,2,3,4,10,10a-hexahydro-10-hydroxy-4-oxo-2-phenylpyrimido[1,2-a]indol-10-yl]methyl]-1-hydroxy-3-(phenylmethyl)-, (3S,6R)- [ACD/Index Name]
haenamindole

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 89.85
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 2.99
ACD/KOC (pH 7.4): 70.35
Polar Surface Area: 122 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 347.1±5.0 cm3

Click to predict properties on the Chemicalize site


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