ChemSpider 2D Image | (3E,5R,5'R,6S,6'S)-7,7',9,9'-Tetrabromo-8,8'-dimethoxy-3,3'-bi(1-oxa-2-azaspiro[4.5]decane)-3(3'),7,7',9,9'-pentaene-6,6'-diol | C18H18Br4N2O6

(3E,5R,5'R,6S,6'S)-7,7',9,9'-Tetrabromo-8,8'-dimethoxy-3,3'-bi(1-oxa-2-azaspiro[4.5]decane)-3(3'),7,7',9,9'-pentaene-6,6'-diol

  • Molecular FormulaC18H18Br4N2O6
  • Average mass677.961 Da
  • Monoisotopic mass673.789795 Da
  • ChemSpider ID9171205

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3E,5R,5'R,6S,6'S)-7,7',9,9'-Tetrabrom-8,8'-dimethoxy-3,3'-bi(1-oxa-2-azaspiro[4.5]decan)-3(3'),7,7',9,9'-pentaen-6,6'-diol [German] [ACD/IUPAC Name]
(3E,5R,5'R,6S,6'S)-7,7',9,9'-Tetrabromo-8,8'-dimethoxy-3,3'-bi(1-oxa-2-azaspiro[4.5]decane)-3(3'),7,7',9,9'-pentaene-6,6'-diol [ACD/IUPAC Name]
(3E,5R,5'R,6S,6'S)-7,7',9,9'-Tétrabromo-8,8'-diméthoxy-3,3'-bi(1-oxa-2-azaspiro[4.5]décane)-3(3'),7,7',9,9'-pentaène-6,6'-diol [French] [ACD/IUPAC Name]
1-Oxa-2-azaspiro[4.5]deca-7,9-dien-6-ol, 7,9-dibromo-3-[(5R,10S)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-6,8-dien-3-ylidene]-8-methoxy-, (3E,5R,6S)- [ACD/Index Name]
zamamistatin

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

Density: 2.2±0.1 g/cm3
Boiling Point: 709.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.6±6.0 kJ/mol
Flash Point: 383.1±35.7 °C
Index of Refraction: 1.743
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2839.93
ACD/KOC (pH 5.5): 10315.08
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2839.68
ACD/KOC (pH 7.4): 10314.16
Polar Surface Area: 101 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 81.0±5.0 dyne/cm
Molar Volume: 304.4±5.0 cm3

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