ChemSpider 2D Image | cryptocaryol B | C32H58O8

cryptocaryol B

  • Molecular FormulaC32H58O8
  • Average mass570.798 Da
  • Monoisotopic mass570.413147 Da
  • ChemSpider ID30785543

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4R,6S,8S,10S)-2,4,6,8-Tetrahydroxy-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-10-pentacosanyl acetate [ACD/IUPAC Name]
(2R,4R,6S,8S,10S)-2,4,6,8-Tetrahydroxy-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-10-pentacosanyl-acetat [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(2R,4R,6S,8S,10S)-10-(acetyloxy)-2,4,6,8-tetrahydroxypentacosyl]-5,6-dihydro-, (6R)- [ACD/Index Name]
Acétate de (2R,4R,6S,8S,10S)-2,4,6,8-tétrahydroxy-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-10-pentacosanyle [French] [ACD/IUPAC Name]
cryptocaryol B
(2R,4R,6S,8S,10S)-2,4,6,8-tetrahydroxy-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]pentacosan-10-yl acetate
  • Miscellaneous

    • Chemical Class:

      A member of the class of 2-pyranones that is 5,6-dihydro-2<element>H</element>-pyran-2-one substituted by a 10-(acetyloxy)-2,4,6,8-tetrahydroxypentacosyl group at position 6.It has been isolated from <ital>Cryptocarya</ital> species. ChEBI CHEBI:67417
      A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a 10-(acetyloxy)-2,4,6,8-tetrahydroxypentacosyl group at position 6.It has been isolated from ; Cryptocarya speci es. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67417
      A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a 10-(acetyloxy)-2,4,6,8-tetrahydroxypentacosyl group at position 6.It has been isolated from Cryptocarya species . ChEBI CHEBI:67417

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

Density: 1.1±0.1 g/cm3
Boiling Point: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 223.6±26.4 °C
Index of Refraction: 1.502
Molar Refractivity: 157.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 35092.18
ACD/KOC (pH 5.5): 62380.00
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 35092.18
ACD/KOC (pH 7.4): 62380.00
Polar Surface Area: 134 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 532.9±3.0 cm3

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