Found 17 results

Search term: MF = 'C_{43}H_{52}N_{2}O_{11}'
ChemSpider 2D Image | Ajacusine | C43H52N2O11

Ajacusine

  • Molecular FormulaC43H52N2O11
  • Average mass772.880 Da
  • Monoisotopic mass772.357117 Da
  • ChemSpider ID16737492

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

[(1β,6β,14α,16β)-14-(Benzoyloxy)-20-ethyl-7,8-dihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoate [ACD/IUPAC Name]
[(1β,6β,14α,16β)-14-(Benzoyloxy)-20-ethyl-7,8-dihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl-2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoat [German] [ACD/IUPAC Name]
2-[(3S)-3-Méthyl-2,5-dioxo-1-pyrrolidinyl]benzoate de [(1β,6β,14α,16β)-14-(benzoyloxy)-20-éthyl-7,8-dihydroxy-1,6,16-triméthoxyaconitan-4-yl]méthyle [French] [ACD/IUPAC Name]
Ajacusine
Benzoic acid, 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]-, [(1β,6β,14α,16β)-14-(benzoyloxy)-20-ethyl-7,8-dihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 200.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 146.48
ACD/KOC (pH 5.5): 955.02
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.90
ACD/KOC (pH 7.4): 2320.45
Polar Surface Area: 161 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 550.7±5.0 cm3

Click to predict properties on the Chemicalize site


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