Found 5 results

Search term: MF = 'C_{13}H_{14}Br_{2}N_{2}O_{6}'
ChemSpider 2D Image | lacunosin A | C13H14Br2N2O6

lacunosin A

  • Molecular FormulaC13H14Br2N2O6
  • Average mass454.068 Da
  • Monoisotopic mass451.921844 Da
  • ChemSpider ID83287004

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycine, N-[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
lacunosin A
Methyl N-{[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}glycinate [ACD/IUPAC Name]
Methyl-N-{[(5S,10R)-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}glycinat [German] [ACD/IUPAC Name]
N-{[(5S,10R)-7,9-Dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-trién-3-yl]carbonyl}glycinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 85.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.81
ACD/KOC (pH 5.5): 215.92
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.74
ACD/KOC (pH 7.4): 214.80
Polar Surface Area: 106 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 234.4±7.0 cm3

Click to predict properties on the Chemicalize site


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