ChemSpider 2D Image | 4-(2-{[(2E)-3-{3,5-Dibromo-4-[3-({[(5R,10S)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)propoxy]phenyl}-2-(hydroxyimino)propanoyl]amino}ethyl)-1,3-dihydr o-2H-imidazol-2-iminium | C27H30Br4N7O7

4-(2-{[(2E)-3-{3,5-Dibromo-4-[3-({[(5R,10S)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)propoxy]phenyl}-2-(hydroxyimino)propanoyl]amino}ethyl)-1,3-dihydr o-2H-imidazol-2-iminium

  • Molecular FormulaC27H30Br4N7O7
  • Average mass884.185 Da
  • Monoisotopic mass879.893433 Da
  • ChemSpider ID34981361

  • Charge - Charge

    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

1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-[3-[2,6-dibromo-4-[(2E)-3-[[2-(2,3-dihydro-2-imino-1H-imidazol-4-yl)ethyl]amino]-2-(hydroxyimino)-3-oxopropyl]phenoxy]propyl]-10-hyd roxy-8-methoxy-, conjugate monoacid, (5R,10S)- [ACD/Index Name]
4-(2-{[(2E)-3-{3,5-Dibrom-4-[3-({[(5R,10S)-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)propoxy]phenyl}-2-(hydroxyimino)propanoyl]amino}ethyl)-1,3-dihydro- 2H-imidazol-2-iminium [German] [ACD/IUPAC Name]
4-(2-{[(2E)-3-{3,5-Dibromo-4-[3-({[(5R,10S)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]carbonyl}amino)propoxy]phenyl}-2-(hydroxyimino)propanoyl]amino}ethyl)-1,3-dihydr o-2H-imidazol-2-iminium [ACD/IUPAC Name]
4-(2-{[(2E)-3-{3,5-Dibromo-4-[3-({[(5R,10S)-7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-trién-3-yl]carbonyl}amino)propoxy]phényl}-2-(hydroxyimino)propanoyl]amino}éthyl)-1,3-dihydr o-2H-imidazol-2-iminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 21.83
ACD/KOC (pH 5.5): 135.83
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 327.94
ACD/KOC (pH 7.4): 2040.80
Polar Surface Area: 201 Å2
Polarizability:
Surface Tension:
Molar Volume:

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