ChemSpider 2D Image | araplysillin III | C22H23Br4N3O7

araplysillin III

  • Molecular FormulaC22H23Br4N3O7
  • Average mass761.050 Da
  • Monoisotopic mass756.826904 Da
  • ChemSpider ID8994226

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3,5-Dibrom-O-[3-({[(5S,10R)-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)propyl]-L-tyrosin [German] [ACD/IUPAC Name]
3,5-Dibromo-O-[3-({[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)propyl]-L-tyrosine [ACD/IUPAC Name]
3,5-Dibromo-O-[3-({[(5S,10R)-7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-trién-3-yl]carbonyl}amino)propyl]-L-tyrosine [French] [ACD/IUPAC Name]
araplysillin III
L-Tyrosine, 3,5-dibromo-O-[3-[[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl]amino]propyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 7.90
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 7.03
Polar Surface Area: 153 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 370.3±7.0 cm3

Click to predict properties on the Chemicalize site


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