ChemSpider 2D Image | Progeldanamycin | C27H41NO6

Progeldanamycin

  • Molecular FormulaC27H41NO6
  • Average mass475.617 Da
  • Monoisotopic mass475.293396 Da
  • ChemSpider ID30792012

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4E,8S,9S,10E,13R,14S,16R)-9,13,20-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-3-on [German] [ACD/IUPAC Name]
(4E,8S,9S,10E,13R,14S,16R)-9,13,20-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-3-one [ACD/IUPAC Name]
(4E,8S,9S,10E,13R,14S,16R)-9,13,20-Trihydroxy-8,14-diméthoxy-4,10,12,16-tétraméthyl-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaén-3-one [French] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-3-one, 9,13,20-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (4E,8S,9S,10E,13R,14S,16R)- [ACD/Index Name]
Progeldanamycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.6±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.93
ACD/KOC (pH 5.5): 1743.19
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 235.77
ACD/KOC (pH 7.4): 1734.72
Polar Surface Area: 108 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

Click to predict properties on the Chemicalize site


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