ChemSpider 2D Image | haplophytine | C37H40N4O7

haplophytine

  • Molecular FormulaC37H40N4O7
  • Average mass652.736 Da
  • Monoisotopic mass652.289673 Da
  • ChemSpider ID16735843

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

15-[(1R,5R,17R)-10-Hydroxy-2-methyl-13-oxo-16-oxa-2,12-diazapentacyclo[10.3.2.01,17.05,17.06,11]heptadeca-6,8,10-trien-5-yl]-16,17-dimethoxy-1-methyl-3,4-didehydro-19,21-epoxyaspidospermidin-21- on [German] [ACD/IUPAC Name]
15-[(1R,5R,17R)-10-Hydroxy-2-methyl-13-oxo-16-oxa-2,12-diazapentacyclo[10.3.2.01,17.05,17.06,11]heptadeca-6,8,10-trien-5-yl]-16,17-dimethoxy-1-methyl-3,4-didehydro-19,21-epoxyaspidospermidin-21- one [ACD/IUPAC Name]
15-[(1R,5R,17R)-10-Hydroxy-2-méthyl-13-oxo-16-oxa-2,12-diazapentacyclo[10.3.2.01,17.05,17.06,11]heptadéca-6,8,10-trién-5-yl]-16,17-diméthoxy-1-méthyl-3,4-didéhydro-19,21-époxyaspidospermidin-21- one [French] [ACD/IUPAC Name]
16625-20-0 [RN]
Aspidospermidin-21-one, 3,4-didehydro-19,21-epoxy-16,17-dimethoxy-1-methyl-15-[(3aR,11bR,11cR)-2,3,5,6-tetrahydro-8-hydroxy-3-methyl-6-oxo-3a,11c-epoxy-4H-indolo[3,2,1-de][1,5]naphthyridin-11b(1H)-yl] - [ACD/Index Name]
haplophytine

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.762
Molar Refractivity: 173.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.74
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 92.96
Polar Surface Area: 108 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 419.4±5.0 cm3

Click to predict properties on the Chemicalize site


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