ChemSpider 2D Image | apicidin F | C35H43N5O7

apicidin F

  • Molecular FormulaC35H43N5O7
  • Average mass645.745 Da
  • Monoisotopic mass645.316223 Da
  • ChemSpider ID30829873

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-3-hexanoic acid, tetradecahydro-6-[(1-methoxy-1H-indol-3-yl)methyl]-1,4,7,10-tetraoxo-9-(phenylmethyl)-, (3S,6S,9S,15aS)- [ACD/Index Name]
6-{(3S,6S,9S,15aS)-9-Benzyl-6-[(1-methoxy-1H-indol-3-yl)methyl]-1,4,7,10-tetraoxotetradecahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl}hexanoic acid [ACD/IUPAC Name]
6-{(3S,6S,9S,15aS)-9-Benzyl-6-[(1-methoxy-1H-indol-3-yl)methyl]-1,4,7,10-tetraoxotetradecahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl}hexansäure [German] [ACD/IUPAC Name]
Acide 6-{(3S,6S,9S,15aS)-9-benzyl-6-[(1-méthoxy-1H-indol-3-yl)méthyl]-1,4,7,10-tétraoxotétradécahydro-2H-pyrido[1,2-a][1,4,7,10]tétraazacyclododécin-3-yl}hexanoïque [French] [ACD/IUPAC Name]
apicidin F

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 174.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 9.35
ACD/KOC (pH 5.5): 101.19
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 159 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 477.1±7.0 cm3

Click to predict properties on the Chemicalize site


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