Found 1 result

Search term: LVZTXOAWLFHKEH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (12E,16E,28E)-31-[(2R,3R,4R,6R)-6-(6-{(2R,4R,5R,6R)-4,5-Dihydroxy-6-[(3E,8E,10E)-1,2,7,12-tetrahydroxy-3,8,10,15-hexadecatetraen-1-yl]tetrahydro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-methylenehexyl)-3,4-d ihydroxytetrahydro-2H-pyran-2-yl]-21,28-dimethyl-12,16,28-hentriacontatriene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol | C66H114O25

(12E,16E,28E)-31-[(2R,3R,4R,6R)-6-(6-{(2R,4R,5R,6R)-4,5-Dihydroxy-6-[(3E,8E,10E)-1,2,7,12-tetrahydroxy-3,8,10,15-hexadecatetraen-1-yl]tetrahydro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-methylenehexyl)-3,4-d ihydroxytetrahydro-2H-pyran-2-yl]-21,28-dimethyl-12,16,28-hentriacontatriene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol

  • Molecular FormulaC66H114O25
  • Average mass1307.596 Da
  • Monoisotopic mass1306.764893 Da
  • ChemSpider ID29213573

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 27 defined stereocentres

More details:

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

(12E,16E,28E)-31-[(2R,3R,4R,6R)-6-(6-{(2R,4R,5R,6R)-4,5-Dihydroxy-6-[(3E,8E,10E)-1,2,7,12-tetrahydroxy-3,8,10,15-hexadecatetraen-1-yl]tetrahydro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-methylenehexyl)-3,4-d ihydroxytetrahydro-2H-pyran-2-yl]-21,28-dimethyl-12,16,28-hentriacontatriene-1,2,6,10,14,19,20,22,23,25,30,31-dodecol [ACD/IUPAC Name]
(12E,16E,28E)-31-[(2R,3R,4R,6R)-6-(6-{(2R,4R,5R,6R)-4,5-Dihydroxy-6-[(3E,8E,10E)-1,2,7,12-tétrahydroxy-3,8,10,15-hexadécatétraén-1-yl]tétrahydro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-méthylènehexyl)-3,4-d ihydroxytétrahydro-2H-pyran-2-yl]-21,28-diméthyl-12,16,28-héntriacontatriène-1,2,6,10,14,19,20,22,23,25,30,31-dodécol [French] [ACD/IUPAC Name]
(12E,16E,28E)-31-[(2R,3R,4R,6R)-6-(6-{(2R,4R,5R,6R)-4,5-Dihydroxy-6-[(3E,8E,10E)-1,2,7,12-tetrahydroxy-3,8,10,15-hexadecatetraen-1-yl]tetrahydro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-methylenhexyl)-3,4-di hydroxytetrahydro-2H-pyran-2-yl]-21,28-dimethyl-12,16,28-hentriacontatrien-1,2,6,10,14,19,20,22,23,25,30,31-dodecol [German] [ACD/IUPAC Name]
L-arabino-L-talo-Octacos-9-enitol, 13,17:24,28-dianhydro-1,2,5,7,8,9,10,16,19,20,21,25-dodecadeoxy-2-[(4E,8E)-1,2,7,11,15,19,20-heptahydroxy-4,8-eicosadien-1-yl]-9-methyl-21-methylene-28-C-[(3E,8E,10E )-1,2,7,12-tetrahydroxy-3,8,10,15-hexadecatetraen-1-yl]-, (9E,28R)- [ACD/Index Name]
luteophanol D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1371.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 233.6±6.0 kJ/mol
Flash Point: 783.3±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 341.0±0.3 cm3
#H bond acceptors: 25
#H bond donors: 23
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 3
ACD/LogP: -4.46
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 484 Å2
Polarizability: 135.2±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 998.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement