Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | Dimethyl (1S,2R,3R,4R,5S,7S)-5-(2-{2-[(1S,2R)-1-acetoxy-2-methyl-3-phenylpropyl]-2-oxiranyl}ethyl)-3-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl]oxy}-2,4,7-trihydroxy-6,8-dioxabicyclo[3.2.1]octane-1,2-dicarb oxylate | C36H50O14

Dimethyl (1S,2R,3R,4R,5S,7S)-5-(2-{2-[(1S,2R)-1-acetoxy-2-methyl-3-phenylpropyl]-2-oxiranyl}ethyl)-3-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl]oxy}-2,4,7-trihydroxy-6,8-dioxabicyclo[3.2.1]octane-1,2-dicarb oxylate

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID9940031

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1S,2R,3R,4R,5S,7S)-5-(2-{2-[(1S,2R)-1-Acétoxy-2-méthyl-3-phénylpropyl]-2-oxiranyl}éthyl)-3-{[(2E,4S,6S)-4,6-diméthyl-2-octenoyl]oxy}-2,4,7-trihydroxy-6,8-dioxabicyclo[3.2.1]octane-1,2-dicarboxylate d e diméthyle [French] [ACD/IUPAC Name]
Dimethyl (1S,2R,3R,4R,5S,7S)-5-(2-{2-[(1S,2R)-1-acetoxy-2-methyl-3-phenylpropyl]-2-oxiranyl}ethyl)-3-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl]oxy}-2,4,7-trihydroxy-6,8-dioxabicyclo[3.2.1]octane-1,2-dicarb oxylate [ACD/IUPAC Name]
Dimethyl-(1S,2R,3R,4R,5S,7S)-5-(2-{2-[(1S,2R)-1-acetoxy-2-methyl-3-phenylpropyl]-2-oxiranyl}ethyl)-3-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl]oxy}-2,4,7-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1,2-dicarbo xylat [German] [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: 772.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 231.5±26.4 °C
Index of Refraction: 1.567
Molar Refractivity: 176.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 11.06
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48625.00
ACD/KOC (pH 5.5): 78781.94
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48329.17
ACD/KOC (pH 7.4): 78302.64
Polar Surface Area: 197 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 540.6±5.0 cm3

Click to predict properties on the Chemicalize site


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