ChemSpider 2D Image | (1S,9R)-1,4:3,9-dianhydro-1-[(1S)-3-bromopropadienyl]-9-[(1R)-1-bromopropyl]-2,5,8-trideoxy-L-gluco-nonitol | C15H22Br2O4

(1S,9R)-1,4:3,9-dianhydro-1-[(1S)-3-bromopropadienyl]-9-[(1R)-1-bromopropyl]-2,5,8-trideoxy-L-gluco-nonitol

  • Molecular FormulaC15H22Br2O4
  • Average mass426.141 Da
  • Monoisotopic mass423.988464 Da
  • ChemSpider ID23310179

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,9R)-1,4:3,9-dianhydro-1-[(1S)-3-bromopropadienyl]-9-[(1R)-1-bromopropyl]-2,5,8-trideoxy-L-gluco-nonitol
(2S,3aR,5R,7S,8R,9aR)-2-[(1R)-3-Bromopropadienyl]-5-[(1R)-1-bromopropyl]octahydro-2H-furo[3,2-b]oxocine-7,8-diol [ACD/IUPAC Name]
(2S,3aR,5R,7S,8R,9aR)-2-[(1R)-3-Bromopropadiényl]-5-[(1R)-1-bromopropyl]octahydro-2H-furo[3,2-b]oxocine-7,8-diol [French] [ACD/IUPAC Name]
(2S,3aR,5R,7S,8R,9aR)-2-[(1R)-3-Brompropadienyl]-5-[(1R)-1-brompropyl]octahydro-2H-furo[3,2-b]oxocin-7,8-diol [German] [ACD/IUPAC Name]
L-gluco-Nonitol, 1,4:3,9-dianhydro-1-C-[(1R)-3-bromo-1,2-propadienyl]-9-C-[(1R)-1-bromopropyl]-2,5,8-trideoxy-, (1S,9R)- [ACD/Index Name]
4:7,6:12-bisepoxy-9,10-diol-1,13-dibromopentadeca-1,2-diene

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

Density: 1.6±0.1 g/cm3
Boiling Point: 514.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.4±6.0 kJ/mol
Flash Point: 264.7±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.06
ACD/KOC (pH 5.5): 691.14
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.06
ACD/KOC (pH 7.4): 691.14
Polar Surface Area: 59 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 265.2±3.0 cm3

Click to predict properties on the Chemicalize site


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