Found 25 results

Search term: MF = 'C_{38}H_{56}O_{13}'
ChemSpider 2D Image | Trimethyl (1S,3S,4S,5R,6R,7R)-7-acetoxy-6-{[(4R,6S)-4,6-dimethyloctanoyl]oxy}-1-[(5S)-3,5-dimethyl-6-phenylhexyl]-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate | C38H56O13

Trimethyl (1S,3S,4S,5R,6R,7R)-7-acetoxy-6-{[(4R,6S)-4,6-dimethyloctanoyl]oxy}-1-[(5S)-3,5-dimethyl-6-phenylhexyl]-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

  • Molecular FormulaC38H56O13
  • Average mass720.843 Da
  • Monoisotopic mass720.372070 Da
  • ChemSpider ID8732211

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S,3S,4S,5R,6R,7R)-7-Acétoxy-6-{[(4R,6S)-4,6-diméthyloctanoyl]oxy}-1-[(5S)-3,5-diméthyl-6-phénylhexyl]-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate de triméthyle [French] [ACD/IUPAC Name]
Trimethyl (1S,3S,4S,5R,6R,7R)-7-acetoxy-6-{[(4R,6S)-4,6-dimethyloctanoyl]oxy}-1-[(5S)-3,5-dimethyl-6-phenylhexyl]-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate [ACD/IUPAC Name]
Trimethyl-(1S,3S,4S,5R,6R,7R)-7-acetoxy-6-{[(4R,6S)-4,6-dimethyloctanoyl]oxy}-1-[(5S)-3,5-dimethyl-6-phenylhexyl]-4-hydroxy-2,8-dioxabicyclo[3.2.1]octan-3,4,5-tricarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 205.8±26.4 °C
Index of Refraction: 1.529
Molar Refractivity: 185.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 13.65
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4125368.75
ACD/LogD (pH 7.4): 9.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4059030.25
Polar Surface Area: 170 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 600.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement