ChemSpider 2D Image | 2,2'-[(2R,2'S,2''S,2'''S,2''''S,5S,5'R,5''R,5'''R,5''''R)-2,2''',2'''',5'-Tetramethylicosahydro-2,2':5',2'':5'',2''':5''',2''''-quinquefuran-5,5''''-diyl]di(2-propanol) | C30H52O7

2,2'-[(2R,2'S,2''S,2'''S,2''''S,5S,5'R,5''R,5'''R,5''''R)-2,2''',2'''',5'-Tetramethylicosahydro-2,2':5',2'':5'',2''':5''',2''''-quinquefuran-5,5''''-diyl]di(2-propanol)

  • Molecular FormulaC30H52O7
  • Average mass524.730 Da
  • Monoisotopic mass524.371277 Da
  • ChemSpider ID407955
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

[2,2':5',2'':5'',2''':5''',2''''-Quinquefuran]-5,5''''-dimethanol, eicosahydro-α555''''5'''',2,2''',2'''',5'-octamethyl-, (2R,2'S,2''S,2'''S,2''''S,5S,5'R,5''R,5'''R,5''' 'R)- [ACD/Index Name]
2,2'-[(2R,2'S,2''S,2'''S,2''''S,5S,5'R,5''R,5'''R,5''''R)-2,2''',2'''',5'-Tetramethylicosahydro-2,2':5',2'':5'',2''':5''',2''''-quinquefuran-5,5''''-diyl]di(2-propanol) [ACD/IUPAC Name]
2,2'-[(2R,2'S,2''S,2'''S,2''''S,5S,5'R,5''R,5'''R,5''''R)-2,2''',2'''',5'-Tetramethylicosahydro-2,2':5',2'':5'',2''':5''',2''''-quinquefuran-5,5''''-diyl]di(2-propanol) [German] [ACD/IUPAC Name]
2,2'-[(2R,2'S,2''S,2'''S,2''''S,5S,5'R,5''R,5'''R,5''''R)-2,2''',2'''',5'-Tétraméthylicosahydro-2,2':5',2'':5'',2''':5''',2''''-quinquefurane-5,5''''-diyl]di(2-propanol) [French] [ACD/IUPAC Name]
glabrescol

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

AIDS039948 [DBID]
AIDS-039948 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 600.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 317.1±27.3 °C
Index of Refraction: 1.523
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.82
ACD/KOC (pH 5.5): 1805.45
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.82
ACD/KOC (pH 7.4): 1805.45
Polar Surface Area: 87 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 461.6±3.0 cm3

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