Found 8 results

Search term: MF = 'C_{34}H_{50}O_{14}'
ChemSpider 2D Image | [(1S,3R,4S,5S,6R,8R,11E,14E,17Z,20E,28S,29R,31R,32R)-4,5,31,32-Tetrahydroxy-10-methyl-26-oxo-2,7,9,27,30-pentaoxatricyclo[26.2.2.0~3,8~]dotriaconta-11,14,17,20-tetraene-6,29-diyl]bis(methylene) diacet ate (non-preferred name) | C34H50O14

[(1S,3R,4S,5S,6R,8R,11E,14E,17Z,20E,28S,29R,31R,32R)-4,5,31,32-Tetrahydroxy-10-methyl-26-oxo-2,7,9,27,30-pentaoxatricyclo[26.2.2.03,8]dotriaconta-11,14,17,20-tetraene-6,29-diyl]bis(methylene) diacet ate (non-preferred name)

  • Molecular FormulaC34H50O14
  • Average mass682.752 Da
  • Monoisotopic mass682.320068 Da
  • ChemSpider ID129242439

  • 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,3R,4S,5S,6R,8R,11E,14E,17Z,20E,28S,29R,31R,32R)-4,5,31,32-Tetrahydroxy-10-methyl-26-oxo-2,7,9,27,30-pentaoxatricyclo[26.2.2.03,8]dotriaconta-11,14,17,20-tetraen-6,29-diyl]dimethylen-diacetat (n on-preferred name) [German] [ACD/IUPAC Name]
[(1S,3R,4S,5S,6R,8R,11E,14E,17Z,20E,28S,29R,31R,32R)-4,5,31,32-Tetrahydroxy-10-methyl-26-oxo-2,7,9,27,30-pentaoxatricyclo[26.2.2.03,8]dotriaconta-11,14,17,20-tetraene-6,29-diyl]bis(methylene) diacet ate (non-preferred name) [ACD/IUPAC Name]
Diacétate de [(1S,3R,4S,5S,6R,8R,11E,14E,17Z,20E,28S,29R,31R,32R)-4,5,31,32-tétrahydroxy-10-méthyl-26-oxo-2,7,9,27,30-pentaoxatricyclo[26.2.2.03,8]dotriaconta-11,14,17,20-tétraène-6,29-diyl]diméthyl ène (non-preferred name) [French] [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: 851.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.7±6.0 kJ/mol
Flash Point: 261.6±27.8 °C
Index of Refraction: 1.499
Molar Refractivity: 169.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 914.05
ACD/KOC (pH 5.5): 4582.07
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 914.03
ACD/KOC (pH 7.4): 4581.98
Polar Surface Area: 197 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 577.6±3.0 cm3

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