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

16,21,32,36-Tetrabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3(38),4,6,14,16,19(35),20,22,30,33,36-dodecaene-11,26 -dione

  • Molecular FormulaC34H28Br4N4O8
  • Average mass940.224 Da
  • Monoisotopic mass935.864014 Da
  • ChemSpider ID7852689
  • Double-bond stereo - Double-bond stereo


More details:






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

16,21,32,36-Tetrabrom-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3(38),4,6,14,16,19(35),20,22,30,33,36-dodecaen-11,26-d
 ion [German] [ACD/IUPAC Name]
16,21,32,36-Tetrabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3(38),4,6,14,16,19(35),20,22,30,33,36-dodecaene-11,26
 -dione [ACD/IUPAC Name]
16,21,32,36-Tétrabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3(38),4,6,14,16,19(35),20,22,30,33,36-dodécaène-11,26
 -dione [French] [ACD/IUPAC Name]
2,18-Dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 16,21,32,36-tetrabromo-4,20-dihydroxy-, 12,25-dio xime [ACD/Index Name]
127687-07-4 [RN]
2,18-DIOXA-10,27-DIAZAPENTACYCLO(28.2.2.214,17.13,7.119,23)OCTATRIACONTA- 3,5,7(38),14,16,19,21,23(35),30,32,33,36-DODECAENE- 11,12,25,26-TETRONE,16,21,32,36-TETRABROMO-4,20-DIHYDROXY- ,12,25-DIOXIME,(E,E)- (ANTINEOPLASTIC AGENT)
2,18-Dioxa-10,27-diazapentacyclo(28.2.2.214,17.13,7.119,23)octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 16,21,32,36-tetrabromo-4,20-dihydroxy-, 12,25-dioxime, (E,E)-
bastadin 9

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): 53772.04
ACD/KOC (pH 5.5): 83672.30
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 11728.33
ACD/KOC (pH 7.4): 18249.94
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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