ChemSpider 2D Image | bastadin 20 | C34H28Br4N4O8

bastadin 20

  • Molecular FormulaC34H28Br4N4O8
  • Average mass940.224 Da
  • Monoisotopic mass935.864014 Da
  • ChemSpider ID10200318

  • Double-bond stereo - Double-bond stereo

More details:

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

(12E,25E)-5,16,21,32-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-dodecae n-11,26-dion [German] [ACD/IUPAC Name]
(12E,25E)-5,16,21,32-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-dodeca ene-11,26-dione [ACD/IUPAC Name]
(12E,25E)-5,16,21,32-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-dodéca ène-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, 5,16,21,32-tetrabromo-4,17-dihydroxy-, 12,25-diox ime, (12E,25E)- [ACD/Index Name]
bastadin 20
(12E,25E)-5,16,21,32-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-dodecaene-11,26-dione
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, 5,16,21,32-tetrabromo-4,17-dihydroxy-, 12,25-dioxime, (12E,25E)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498932/

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

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: 7.37
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 92221.32
ACD/KOC (pH 5.5): 123391.36
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 17369.28
ACD/KOC (pH 7.4): 23239.95
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

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