ChemSpider 2D Image | (1S,5S,7S,8S,11S,13R)-5-[(3E,5E)-6-Bromo-3,5-hexadien-1-yl]-1,7-dihydroxy-5,8-dimethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl 6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyranoside | C30H49BrO10

(1S,5S,7S,8S,11S,13R)-5-[(3E,5E)-6-Bromo-3,5-hexadien-1-yl]-1,7-dihydroxy-5,8-dimethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl 6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranoside

  • Molecular FormulaC30H49BrO10
  • Average mass649.608 Da
  • Monoisotopic mass648.250916 Da
  • ChemSpider ID35517111

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,5S,7S,8S,11S,13R)-5-[(3E,5E)-6-Brom-3,5-hexadien-1-yl]-1,7-dihydroxy-5,8-dimethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl-6-desoxy-2,3,4-tri-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
(1S,5S,7S,8S,11S,13R)-5-[(3E,5E)-6-Bromo-3,5-hexadien-1-yl]-1,7-dihydroxy-5,8-dimethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl 6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
4,15-Dioxabicyclo[9.3.1]pentadecan-3-one, 5-[(3E,5E)-6-bromo-3,5-hexadien-1-yl]-13-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-1,7-dihydroxy-5,8-dimethyl-, (1S,5S,7S,8S,11S,13R)- [ACD/Index Name]
6-Désoxy-2,3,4-tri-O-méthyl-α-L-mannopyranoside de (1S,5S,7S,8S,11S,13R)-5-[(3E,5E)-6-bromo-3,5-hexadién-1-yl]-1,7-dihydroxy-5,8-diméthyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadéc-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 387.8±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 157.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 519.57
ACD/KOC (pH 5.5): 3058.15
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 519.55
ACD/KOC (pH 7.4): 3058.05
Polar Surface Area: 122 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 502.1±5.0 cm3

Click to predict properties on the Chemicalize site


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