Found 30 results

Search term: MF = 'C_{28}H_{44}O_{9}'
ChemSpider 2D Image | [(2R,2'R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(2-acetoxyethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl]bis(methylene) diacetate | C28H44O9

[(2R,2'R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(2-acetoxyethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl]bis(methylene) diacetate

  • Molecular FormulaC28H44O9
  • Average mass524.644 Da
  • Monoisotopic mass524.298523 Da
  • ChemSpider ID62499982

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2R,2'R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(2-acetoxyethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl]bis(methylene) diacetate [ACD/IUPAC Name]
[(2R,2'R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(2-acetoxyethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl]dimethylen-diacetat [German] [ACD/IUPAC Name]
Diacétate de [(2R,2'R,4a'S,5S,5'R,6'S,8a'S)-6'-acétoxy-5-(2-acétoxyéthyl)-2',5',8a'-triméthyldécahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl]diméthylène [French] [ACD/IUPAC Name]
Spiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'-dimethanol, 6'-(acetyloxy)-5-[2-(acetyloxy)ethyl]decahydro-2',5',8'a-trimethyl-, diacetate, (2R,2'R,4'aS,5S,5'R,6'S,8'aS)- [ACD/Index 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: 558.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 232.5±27.4 °C
Index of Refraction: 1.509
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2329.89
ACD/KOC (pH 5.5): 8952.31
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2329.89
ACD/KOC (pH 7.4): 8952.31
Polar Surface Area: 114 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 451.4±5.0 cm3

Click to predict properties on the Chemicalize site


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