ChemSpider 2D Image | purpuramine J | C23H28Br3N3O5

purpuramine J

  • Molecular FormulaC23H28Br3N3O5
  • Average mass666.198 Da
  • Monoisotopic mass662.957886 Da
  • ChemSpider ID7853946
  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(3-Brom-4-methoxyphenyl)-N-(2-{3,5-dibrom-4-[3-(dimethylnitroryl)propoxy]phenyl}ethyl)-2-(hydroxyimino)propanamid [German] [ACD/IUPAC Name]
(2Z)-3-(3-Bromo-4-methoxyphenyl)-N-(2-{3,5-dibromo-4-[3-(dimethylnitroryl)propoxy]phenyl}ethyl)-2-(hydroxyimino)propanamide [ACD/IUPAC Name]
(2Z)-3-(3-Bromo-4-méthoxyphényl)-N-(2-{3,5-dibromo-4-[3-(diméthylnitroryl)propoxy]phényl}éthyl)-2-(hydroxyimino)propanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 3-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylnitroryl)propoxy]phenyl]ethyl]-α-(hydroxyimino)-4-methoxy-, (αZ)- [ACD/Index Name]
purpuramine J

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 84.78
ACD/KOC (pH 5.5): 804.61
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 90.93
ACD/KOC (pH 7.4): 862.96
Polar Surface Area: 97 Å2
Surface Tension:
Molar Volume:

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