ChemSpider 2D Image | aplysinamisine I | C16H17Br2N5O4

aplysinamisine I

  • Molecular FormulaC16H17Br2N5O4
  • Average mass503.145 Da
  • Monoisotopic mass500.964722 Da
  • ChemSpider ID10473935

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,10R)-N-[(2Z)-3-(2-Amino-1H-imidazol-4-yl)-2-propen-1-yl]-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-carboxamid [German] [ACD/IUPAC Name]
(5S,10R)-N-[(2Z)-3-(2-Amino-1H-imidazol-4-yl)-2-propen-1-yl]-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-[(2Z)-3-(2-Amino-1H-imidazol-4-yl)-2-propén-1-yl]-7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carboxamide [French] [ACD/IUPAC Name]
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N-[(2Z)-3-(2-amino-1H-imidazol-4-yl)-2-propen-1-yl]-7,9-dibromo-10-hydroxy-8-methoxy-, (5S,10R)- [ACD/Index Name]
aplysinamisine I
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517447/

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: 1.730
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 24.96
Polar Surface Area: 135 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 257.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement