ChemSpider 2D Image | araplysillin-I | C21H23Br4N3O5

araplysillin-I

  • Molecular FormulaC21H23Br4N3O5
  • Average mass717.040 Da
  • Monoisotopic mass712.837097 Da
  • ChemSpider ID10472106

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,10R)-N-{3-[4-(2-Aminoethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide [ACD/IUPAC Name]
(5S,10R)-N-{3-[4-(2-Aminoéthyl)-2,6-dibromophénoxy]propyl}-7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carboxamide [French] [ACD/IUPAC Name]
(5S,10R)-N-{3-[4-(2-Aminoethyl)-2,6-dibromphenoxy]propyl}-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-carboxamid [German] [ACD/IUPAC Name]
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-, (5S,10R)- [ACD/Index Name]
araplysillin-I

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.25
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 9.66
ACD/KOC (pH 7.4): 48.18
Polar Surface Area: 115 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 359.8±7.0 cm3

Click to predict properties on the Chemicalize site


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