Found 23 results

Search term: MF = 'C_{54}H_{90}O_{24}'
ChemSpider 2D Image | CSID:8995371 | C54H90O24

  • Molecular FormulaC54H90O24
  • Average mass1123.278 Da
  • Monoisotopic mass1122.582153 Da
  • ChemSpider ID8995371

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(2S,3R,4R,5R,6S)-4-Hydroxy-5-{[(2S,3R)-3-hydroxy-2-methylbutanoyl]oxy}-2-methyl-6-{[(1S,3S,5R,6R,7S,8S,20S,22R,24R,25S,26S,27R,29S,31R,32R,33R)-6,25,26,32-tetrahydroxy-5,31-bis(hydroxymethyl)-24-methy ;l-7-{[(2S)-2-methylbutanoyl]oxy}-10-oxo-20-pentyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacont-33-yl]oxy}tetrahydro-2H-pyran-3-yl-(2Z)-2-butenoat [German] [ACD/IUPAC Name]
(2Z)-2-Buténoate de (2S,3R,4R,5R,6S)-4-hydroxy-5-{[(2S,3R)-3-hydroxy-2-méthylbutanoyl]oxy}-2-méthyl-6-{[(1S,3S,5R,6R,7S,8S,20S,22R,24R,25S,26S,27R,29S,31R,32R,33R)-6,25,26,32-tétrahydroxy-5,31-bis(hyd ;roxyméthyl)-24-méthyl-7-{[(2S)-2-méthylbutanoyl]oxy}-10-oxo-20-pentyl-2,4,9,21,23,28,30-heptaoxatétracyclo[27.3.1.03,8.022,27]tritriacont-33-yl]oxy}tétrahydro-2H-pyran-3-yle [French] [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: 1094.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 181.8±6.0 kJ/mol
Flash Point: 295.1±27.8 °C
Index of Refraction: 1.559
Molar Refractivity: 274.9±0.4 cm3
#H bond acceptors: 24
#H bond donors: 8
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 10.55
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 206779.47
ACD/KOC (pH 5.5): 222031.97
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 206771.52
ACD/KOC (pH 7.4): 222023.44
Polar Surface Area: 341 Å2
Polarizability: 109.0±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 851.8±5.0 cm3

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