ChemSpider 2D Image | (1S,1'S,2R,2'S,20R,20'S,42S,42'S,46R,46'R)-7,7',8,8',9,9',12,12',13,13',14,14',25,25',26,26',27,27',30,30',31,31',32,32',35,35',36,36',37,37',46-Hentriacontahydroxy-15,46'-bi(3,18,21,41,43-pentaoxanon acyclo[27.13.3.1~38,42~.0~2,20~.0~5,10~.0~11,16~.0~23,28~.0~33,45~.0~34,39~]hexatetracontane)-5,5',7,7',9,9',11,11',13,13',15,15',23,23',25,25',27,27',29(45),29'(45'),30,30',32,32',34,34',36,36',38,38 '-triacontaene-4,4',17,17',22,22',40,40',44,44'-decone | C82H50O51

(1S,1'S,2R,2'S,20R,20'S,42S,42'S,46R,46'R)-7,7',8,8',9,9',12,12',13,13',14,14',25,25',26,26',27,27',30,30',31,31',32,32',35,35',36,36',37,37',46-Hentriacontahydroxy-15,46'-bi(3,18,21,41,43-pentaoxanon acyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetracontane)-5,5',7,7',9,9',11,11',13,13',15,15',23,23',25,25',27,27',29(45),29'(45'),30,30',32,32',34,34',36,36',38,38 '-triacontaene-4,4',17,17',22,22',40,40',44,44'-decone

  • Molecular FormulaC82H50O51
  • Average mass1851.244 Da
  • Monoisotopic mass1850.131958 Da
  • ChemSpider ID68024617

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

132864-75-6 [RN]
Roburin A

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.878
Molar Refractivity: 409.9±0.3 cm3
#H bond acceptors: 51
#H bond donors: 31
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 4.54
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 890 Å2
Polarizability: 162.5±0.5 10-24cm3
Surface Tension: 142.2±3.0 dyne/cm
Molar Volume: 896.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement