ChemSpider 2D Image | 3,4,5-Trihydroxy-6-{[(3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)methoxy]methyl}tetrahydro-2H-pyran-2-yl 10-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2 H-pyran-2-yl}oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenecarboxylate | C58H94O25

3,4,5-Trihydroxy-6-{[(3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)methoxy]methyl}tetrahydro-2H-pyran-2-yl 10-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2 H-pyran-2-yl}oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenecarboxylate

  • Molecular FormulaC58H94O25
  • Average mass1191.352 Da
  • Monoisotopic mass1190.608398 Da
  • ChemSpider ID3429185

More details:

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

10-{[3-({3,5-Dihydroxy-6-méthyl-4-[(3,4,5-trihydroxytétrahydro-2H-pyran-2-yl)oxy]tétrahydro-2H-pyran-2-yl}oxy)-4,5-dihydroxytétrahydro-2H-pyran-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptaméthyl-1,3,4,5,6,6a,6b, 7,8,8a,9,10,11,12,12a,12b,13,14b-octadécahydro-4a(2H)-picènecarboxylate de 3,4,5-trihydroxy-6-{[(3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl)méthoxy]méthyl}tétrahydro-2H-pyran-2-yle (non-preferred na me) [French] [ACD/IUPAC Name]
3,4,5-Trihydroxy-6-{[(3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)methoxy]methyl}tetrahydro-2H-pyran-2-yl 10-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2 H-pyran-2-yl}oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenecarboxylate [ACD/IUPAC Name]
3,4,5-Trihydroxy-6-{[(3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)methoxy]methyl}tetrahydro-2H-pyran-2-yl-10-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2 H-pyran-2-yl}oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 288.4±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 675.40
ACD/KOC (pH 5.5): 3687.44
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 675.39
ACD/KOC (pH 7.4): 3687.37
Polar Surface Area: 393 Å2
Polarizability: 114.3±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 806.6±5.0 cm3

Click to predict properties on the Chemicalize site


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