ChemSpider 2D Image | (6S)-6-[(2S,4S,6S,8S,10R)-2,4,6,8,10-Pentahydroxypentacosyl]-5,6-dihydro-2H-pyran-2-one | C30H56O7

(6S)-6-[(2S,4S,6S,8S,10R)-2,4,6,8,10-Pentahydroxypentacosyl]-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC30H56O7
  • Average mass528.761 Da
  • Monoisotopic mass528.402588 Da
  • ChemSpider ID34218212

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S)-6-[(2S,4S,6S,8S,10R)-2,4,6,8,10-Pentahydroxypentacosyl]-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-6-[(2S,4S,6S,8S,10R)-2,4,6,8,10-Pentahydroxypentacosyl]-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-6-[(2S,4S,6S,8S,10R)-2,4,6,8,10-Pentahydroxypentacosyl]-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 5,6-dihydro-6-[(2S,4S,6S,8S,10R)-2,4,6,8,10-pentahydroxypentacosyl]-, (6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 227.5±26.4 °C
Index of Refraction: 1.510
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7052.32
ACD/KOC (pH 5.5): 19780.03
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7052.31
ACD/KOC (pH 7.4): 19780.03
Polar Surface Area: 127 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 493.9±3.0 cm3

Click to predict properties on the Chemicalize site


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