ChemSpider 2D Image | CSID:8052212 | C56H87NO16

  • Molecular FormulaC56H87NO16
  • Average mass1030.287 Da
  • Monoisotopic mass1029.602539 Da
  • ChemSpider ID8052212

  • 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,2R,4R)-4-{(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04 ,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl-3-hydroxy-2-(hydroxymethyl)-2-methylpropanoat [German] [ACD/IUPAC Name]
3-Hydroxy-2-(hydroxyméthyl)-2-méthylpropanoate de (1R,2R,4R)-4-{(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-diméthoxy-15,17,21,23,29,35-hexaméthyl-2,3,10,1 ;4,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tétraén-12-yl]propyl}-2-méthoxycyclohexyle [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: 1048.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.7±6.0 kJ/mol
Flash Point: 587.8±37.1 °C
Index of Refraction: 1.554
Molar Refractivity: 273.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 797.29
ACD/KOC (pH 5.5): 4155.04
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 796.49
ACD/KOC (pH 7.4): 4150.90
Polar Surface Area: 242 Å2
Polarizability: 108.3±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 853.1±5.0 cm3

Click to predict properties on the Chemicalize site


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