ChemSpider 2D Image | (12E,25Z)-16,21,32,36-Tetrabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.2~20,23~.1~3,7~.1~14,18~]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodec
aene-11,26-dione | C34H28Br4N4O8

(12E,25Z)-16,21,32,36-Tetrabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodec aene-11,26-dione

  • Molecular FormulaC34H28Br4N4O8
  • Average mass940.224 Da
  • Monoisotopic mass935.864014 Da
  • ChemSpider ID7851865
  • Double-bond stereo - Double-bond stereo


More details:






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

(12E,25Z)-16,21,32,36-Tetrabrom-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodeca en-11,26-dion [German] [ACD/IUPAC Name]
(12E,25Z)-16,21,32,36-Tetrabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodec aene-11,26-dione [ACD/IUPAC Name]
(12E,25Z)-16,21,32,36-Tétrabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodéc aène-11,26-dione [French] [ACD/IUPAC Name]
2,19-Dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-3,5,7(38),14,16,18(37),20,22,30,32,33,35-dodecaene-11,12,25,26-tetrone, 16,21,32,36-tetrabromo-4,17-dihydroxy-, 12,25-dio xime, (12E,25Z)- [ACD/Index Name]
12E,25E)-
134981-78-5 [RN]
2,19-Dioxa-10,27-diazapentacyclo(28.2.2.2(20,23).1(3,7).1(14,18))octatriaconta-3,5,7(38),14,16,18(37),20,22,30,32,33,35-dodecaene-11,12,25,26-tetrone, 16,21,32,36-tetrabromo-4,17-dihydroxy-, 12,25-dioxime, (E,E)-
2,19-Dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-3,5,7(38),14,16,18(37),20,22,30,32,33,35-dodecaene-11,12,25,26-tetrone,16,21,32,36-tetrabromo-4,17-dihydroxy-, 12,25-dioxime, (
Bastadin 12
Bastadin 13
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 196.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 53772.92
ACD/KOC (pH 5.5): 83673.67
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 11728.83
ACD/KOC (pH 7.4): 18250.72
Polar Surface Area: 182 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 501.6±7.0 cm3

Click to predict properties on the Chemicalize site






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