ChemSpider 2D Image | (1R,5S,9S,14R,15R,17S,19S,22R)-9-Methyl-11-oxo-22-[(trimethylsilyl)oxy]-18H-spiro[16,21-dioxa-18-azahexacyclo[15.3.1.1~15,19~.0~1,14~.0~4,12~.0~5,9~]docos-4(12)-ene-8,2'-[1,3]dioxolane]-18-carbaldehyd e | C26H37NO7Si

(1R,5S,9S,14R,15R,17S,19S,22R)-9-Methyl-11-oxo-22-[(trimethylsilyl)oxy]-18H-spiro[16,21-dioxa-18-azahexacyclo[15.3.1.115,19.01,14.04,12.05,9]docos-4(12)-ene-8,2'-[1,3]dioxolane]-18-carbaldehyd e

  • Molecular FormulaC26H37NO7Si
  • Average mass503.660 Da
  • Monoisotopic mass503.233917 Da
  • ChemSpider ID30660315

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,5S,9S,14R,15R,17S,19S,22R)-9-Methyl-11-oxo-22-[(trimethylsilyl)oxy]-18H-spiro[16,21-dioxa-18-azahexacyclo[15.3.1.115,19.01,14.04,12.05,9]docos-4(12)-ene-8,2'-[1,3]dioxolane]-18-carbaldehyd e [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.1±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.74
ACD/KOC (pH 5.5): 528.66
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.74
ACD/KOC (pH 7.4): 528.66
Polar Surface Area: 84 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 386.7±5.0 cm3

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