ChemSpider 2D Image | laurenmariallene | C15H15Br3O2

laurenmariallene

  • Molecular FormulaC15H15Br3O2
  • Average mass466.990 Da
  • Monoisotopic mass463.862183 Da
  • ChemSpider ID23076774
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(6S)-1,4:3,6-Dianhydro-2-brom-1-[(1Z,3Z)-4-brom-1,3-hexadien-1-yl]-6-[(1R)-3-brompropadienyl]-2,5-didesoxy-D-threo-hex-1-enitol [German] [ACD/IUPAC Name]
(6S)-1,4:3,6-Dianhydro-2-bromo-1-[(1Z,3Z)-4-bromo-1,3-hexadien-1-yl]-6-[(1R)-3-bromopropadienyl]-2,5-dideoxy-D-threo-hex-1-enitol [ACD/IUPAC Name]
(6S)-1,4:3,6-Dianhydro-2-bromo-1-[(1Z,3Z)-4-bromo-1,3-hexadién-1-yl]-6-[(1R)-3-bromopropadiényl]-2,5-didésoxy-D-thréo-hex-1-énitol [French] [ACD/IUPAC Name]
(6S)-1,4:3,6-dianhydro-2-bromo-1-[(1Z,3Z)-4-bromohexa-1,3-dien-1-yl]-6-[(1S)-3-bromopropadienyl]-2,5-dideoxy-D-threo-hex-1-enitol
D-threo-Hex-1-enitol, 1,4:3,6-dianhydro-2-bromo-1-C-[(1Z,3Z)-4-bromo-1,3-hexadien-1-yl]-6-C-[(1R)-3-bromo-1,2-propadienyl]-2,5-dideoxy-, (6S)- [ACD/Index Name]
laurenmariallene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 448.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 186.5±27.2 °C
Index of Refraction: 1.710
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2174.76
ACD/KOC (pH 5.5): 8521.48
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2174.76
ACD/KOC (pH 7.4): 8521.48
Polar Surface Area: 18 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 248.4±3.0 cm3

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