ChemSpider 2D Image | auriside B | C30H44BrNO11

auriside B

  • Molecular FormulaC30H44BrNO11
  • Average mass674.575 Da
  • Monoisotopic mass673.209778 Da
  • ChemSpider ID10373451

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2S,5R,7E,11R,13R)-5-[(1E,3E)-4-Brom-1,3-butadien-1-yl]-1-hydroxy-2,7,10,10-tetramethyl-3,9-dioxo-4,15-dioxabicyclo[9.3.1]pentadec-7-en-13-yl-3-O-carbamoyl-6-desoxy-2,4-di-O-methyl-α-L-mannopyr anosid [German] [ACD/IUPAC Name]
(1S,2S,5R,7E,11R,13R)-5-[(1E,3E)-4-Bromo-1,3-butadien-1-yl]-1-hydroxy-2,7,10,10-tetramethyl-3,9-dioxo-4,15-dioxabicyclo[9.3.1]pentadec-7-en-13-yl 3-O-carbamoyl-6-deoxy-2,4-di-O-methyl-α-L-mannopyr anoside [ACD/IUPAC Name]
(1S,2S,5R,7E,11R,13R)-5-[(1E,3E)-4-Bromobuta-1,3-dien-1-yl]-1-hydroxy-2,7,10,10-tetramethyl-3,9-dioxo-4,15-dioxabicyclo[9.3.1]pentadec-7-en-13-yl 3-O-carbamoyl-6-deoxy-2,4-di-O-methyl-α-L-mannopyranoside
3-O-Carbamoyl-6-désoxy-2,4-di-O-méthyl-α-L-mannopyranoside de (1S,2S,5R,7E,11R,13R)-5-[(1E,3E)-4-bromo-1,3-butadién-1-yl]-1-hydroxy-2,7,10,10-tétraméthyl-3,9-dioxo-4,15-dioxabicyclo[9.3.1]pentadéc -7-én-13-yle [French] [ACD/IUPAC Name]
4,15-Dioxabicyclo[9.3.1]pentadec-7-ene-3,9-dione, 13-[[3-O-(aminocarbonyl)-6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl]oxy]-5-[(1E,3E)-4-bromo-1,3-butadien-1-yl]-1-hydroxy-2,7,10,10-tetramethyl-, ( 1S,2S,5R,7E,11R,13R)- [ACD/Index Name]
4,15-dioxabicyclo[9.3.1]pentadec-7-ene-3,9-dione, 13-[[3-O-(aminocarbonyl)-6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl]oxy]-5-[(1E,3E)-4-bromo-1,3-butadien-1-yl]-1-hydroxy-2,7,10,10-tetramethyl-, (1S,2S,5R,7E,11R,13R)-
auriside B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 789.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 431.4±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.88
ACD/KOC (pH 5.5): 749.63
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.87
ACD/KOC (pH 7.4): 749.60
Polar Surface Area: 162 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 495.0±5.0 cm3

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