ChemSpider 2D Image | CSID:8526304 | C52H81NO13

  • Molecular FormulaC52H81NO13
  • Average mass928.198 Da
  • Monoisotopic mass927.570801 Da
  • ChemSpider ID8526304

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30R,32S,35R)-30-Ethoxy-1,18-dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dio ;xa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-2,3,10,14,20-penton [German] [ACD/IUPAC Name]
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30R,32S,35R)-30-Éthoxy-1,18-dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-2-propanyl}-19-méthoxy-15,17,21,23,29,35-hexaméthyl-11,36-dio ;xa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tétraène-2,3,10,14,20-pentone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 979.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.8±6.0 kJ/mol
Flash Point: 546.1±37.1 °C
Index of Refraction: 1.550
Molar Refractivity: 251.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1904.54
ACD/KOC (pH 5.5): 7749.43
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1902.67
ACD/KOC (pH 7.4): 7741.80
Polar Surface Area: 195 Å2
Polarizability: 99.6±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 789.4±5.0 cm3

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