Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (1S,3S,4S,5R,6R,7R)-6,7-diacetoxy-1-[(4R,5R)-4-acetoxy-5-methyl-6-phenylhexyl]-4-formyl-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,5-dicarboxylate | C36H50O14

Bis(2-methyl-2-propanyl) (1S,3S,4S,5R,6R,7R)-6,7-diacetoxy-1-[(4R,5R)-4-acetoxy-5-methyl-6-phenylhexyl]-4-formyl-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,5-dicarboxylate

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID9300499

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3S,4S,5R,6R,7R)-6,7-Diacétoxy-1-[(4R,5R)-4-acétoxy-5-méthyl-6-phénylhexyl]-4-formyl-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,5-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (1S,3S,4S,5R,6R,7R)-6,7-diacetoxy-1-[(4R,5R)-4-acetoxy-5-methyl-6-phenylhexyl]-4-formyl-4-hydroxy-2,8-dioxabicyclo[3.2.1]octane-3,5-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(1S,3S,4S,5R,6R,7R)-6,7-diacetoxy-1-[(4R,5R)-4-acetoxy-5-methyl-6-phenylhexyl]-4-formyl-4-hydroxy-2,8-dioxabicyclo[3.2.1]octan-3,5-dicarboxylat [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: 722.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 212.5±26.4 °C
Index of Refraction: 1.536
Molar Refractivity: 176.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 10.76
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89682.80
ACD/KOC (pH 5.5): 122101.09
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89165.19
ACD/KOC (pH 7.4): 121396.35
Polar Surface Area: 187 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 564.5±5.0 cm3

Click to predict properties on the Chemicalize site


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