Found 4 results

Search term: MF = 'C_{31}H_{49}BrO_{10}'
ChemSpider 2D Image | (1S,2S,5R,7R,8Z,11S,12S,13R,15R)-5-[(1E,3E)-4-Bromo-1,3-butadien-1-yl]-1,11-dihydroxy-2,7,12-trimethyl-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-8-en-15-yl 6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyrano side | C31H49BrO10

(1S,2S,5R,7R,8Z,11S,12S,13R,15R)-5-[(1E,3E)-4-Bromo-1,3-butadien-1-yl]-1,11-dihydroxy-2,7,12-trimethyl-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-8-en-15-yl 6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyrano side

  • Molecular FormulaC31H49BrO10
  • Average mass661.619 Da
  • Monoisotopic mass660.250916 Da
  • ChemSpider ID25054632

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,2S,5R,7R,8Z,11S,12S,13R,15R)-5-[(1E,3E)-4-Brom-1,3-butadien-1-yl]-1,11-dihydroxy-2,7,12-trimethyl-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-8-en-15-yl-6-desoxy-2,3,4-tri-O-methyl-α-L-mannopyrano sid [German] [ACD/IUPAC Name]
(1S,2S,5R,7R,8Z,11S,12S,13R,15R)-5-[(1E,3E)-4-Bromo-1,3-butadien-1-yl]-1,11-dihydroxy-2,7,12-trimethyl-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-8-en-15-yl 6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyrano side [ACD/IUPAC Name]
4,17-Dioxabicyclo[11.3.1]heptadec-8-en-3-one, 5-[(1E,3E)-4-bromo-1,3-butadien-1-yl]-15-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-1,11-dihydroxy-2,7,12-trimethyl-, (1S,2S,5R,7R,8Z,11S,12 S,13R,15R)- [ACD/Index Name]
6-Désoxy-2,3,4-tri-O-méthyl-α-L-mannopyranoside de (1S,2S,5R,7R,8Z,11S,12S,13R,15R)-5-[(1E,3E)-4-bromo-1,3-butadién-1-yl]-1,11-dihydroxy-2,7,12-triméthyl-3-oxo-4,17-dioxabicyclo[11.3.1]heptadéc-8- én-15-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: 734.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 397.9±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 162.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 476.45
ACD/KOC (pH 5.5): 2874.29
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 476.43
ACD/KOC (pH 7.4): 2874.17
Polar Surface Area: 122 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 512.9±5.0 cm3

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