ChemSpider 2D Image | (4aR,7aS,7bS,8R,9R)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 5-azido-2-nitrobenzoate | C29H32N4O10

(4aR,7aS,7bS,8R,9R)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 5-azido-2-nitrobenzoate

  • Molecular FormulaC29H32N4O10
  • Average mass596.585 Da
  • Monoisotopic mass596.211853 Da
  • ChemSpider ID112049

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(4aR,7aS,7bS,8R,9R)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 5-azido-2-nitrobenzoate [ACD/IUPAC Name]
(4aR,7aS,7bS,8R,9R)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl-5-azido-2-nitrobenzoat [German] [ACD/IUPAC Name]
5-Azido-2-nitrobenzoate de (4aR,7aS,7bS,8R,9R)-9a-acétoxy-4a,7b-dihydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulén-9-yle [French] [ACD/IUPAC Name]
Benzoic acid, 5-azido-2-nitro-, (4aR,7aS,7bS,8R,9R)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9 -yl ester [ACD/Index Name]
12-O-(5-Azido-2-nitrobenzoylphorbol)-13-acetate
96657-96-4 [RN]
Benzoic acid, 5-azido-2-nitro-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aβ))-
NABPA

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1151.55
ACD/KOC (pH 5.5): 5405.85
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1151.37
ACD/KOC (pH 7.4): 5405.02
Polar Surface Area: 189 Å2
Polarizability:
Surface Tension:
Molar Volume:

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