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Search term: 10263506 (Found by CSID)
ChemSpider 2D Image | Halichoblelide A | C54H86O19

Halichoblelide A

  • Molecular FormulaC54H86O19
  • Average mass1039.249 Da
  • Monoisotopic mass1038.576294 Da
  • ChemSpider ID10263506

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(2R,3R,4S,5S)-3-{[(2S,4S,5S,6S)-4,5-Dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-5-methyltetrahydro-2-furanyl (2S,3R,4S)-4-[(2S,3S,4E,6E,10S,11S,12E,14E)-10-{(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-{ [(2R,4S,5S,6S)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-hydroxy-2-pentanyl}-3,11-dimethyl-8,16-dioxo-1,9-dioxacyclohexadeca-4,6,12,14-t etraen-2-yl]-3-hydroxy-2-methylpentanoate [ACD/IUPAC Name]
(2R,3R,4S,5S)-3-{[(2S,4S,5S,6S)-4,5-Dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-5-methyltetrahydro-2-furanyl-(2S,3R,4S)-4-[(2S,3S,4E,6E,10S,11S,12E,14E)-10-{(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-{ [(2R,4S,5S,6S)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-hydroxy-2-pentanyl}-3,11-dimethyl-8,16-dioxo-1,9-dioxacyclohexadeca-4,6,12,14-t etraen-2-yl]-3-hydroxy-2-methylpentanoat [German] [ACD/IUPAC Name]
(2S,3R,4S)-4-[(2S,3S,4E,6E,10S,11S,12E,14E)-10-{(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-{[(2R,4S,5S,6S)-4,5-Dihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-5-éthyl-2-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-3- hydroxy-2-pentanyl}-3,11-diméthyl-8,16-dioxo-1,9-dioxacyclohexadéca-4,6,12,14-tétraén-2-yl]-3-hydroxy-2-méthylpentanoate de (2R,3R,4S,5S)-3-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-méthyltétrahydro-2H-pyran-2- yl]oxy}-4-éthyl-5-méthyltétrahydro-2-furanyl [French] [ACD/IUPAC Name]
Halichoblelide A
halichoblelide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1089.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 180.8±6.0 kJ/mol
Flash Point: 298.2±27.8 °C
Index of Refraction: 1.565
Molar Refractivity: 267.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.73
ACD/KOC (pH 5.5): 777.78
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.73
ACD/KOC (pH 7.4): 777.78
Polar Surface Area: 276 Å2
Polarizability: 106.1±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 821.8±5.0 cm3

Click to predict properties on the Chemicalize site


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