ChemSpider 2D Image | Mongolicain A | C55H36O30

Mongolicain A

  • Molecular FormulaC55H36O30
  • Average mass1176.856 Da
  • Monoisotopic mass1176.129150 Da
  • ChemSpider ID10252171

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1R,2R,20R,44S,45R,49S,50S,56S)-45-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,25,26,27,30,31,32,35,41,44-pentadecahydroxy-3,18,21,38,46,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.0 23,28.033,53.037,49.037,56.039,48.042,47]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39,41,47-hexadecaen-4,17,22,36,52,55-hexon [German] [ACD/IUPAC Name]
(1R,2R,20R,44S,45R,49S,50S,56S)-45-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,25,26,27,30,31,32,35,41,44-pentadecahydroxy-3,18,21,38,46,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.0 23,28.033,53.037,49.037,56.039,48.042,47]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39,41,47-hexadecaene-4,17,22,36,52,55-hexone [ACD/IUPAC Name]
(1R,2R,20R,44S,45R,49S,50S,56S)-45-(3,4-Dihydroxyphényl)-7,8,9,12,13,14,25,26,27,30,31,32,35,41,44-pentadécahydroxy-3,18,21,38,46,51,54-heptaoxadodécacyclo[27.21.3.334,50.02,20.05,10.011,16.0 23,28.033,53.037,49.037,56.039,48.042,47]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39,41,47-hexadécaène-4,17,22,36,52,55-hexone [French] [ACD/IUPAC Name]
Mongolicain A

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.016
Molar Refractivity: 262.1±0.4 cm3
#H bond acceptors: 30
#H bond donors: 17
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 4.67
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 511 Å2
Polarizability: 103.9±0.5 10-24cm3
Surface Tension: 225.1±5.0 dyne/cm
Molar Volume: 518.7±5.0 cm3

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