ChemSpider 2D Image | (4R,5S,6S,7R,9R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-(Allyloxy)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13
-dien-4-yl acetate | C33H51NO11

(4R,5S,6S,7R,9R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-(Allyloxy)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13 -dien-4-yl acetate

  • Molecular FormulaC33H51NO11
  • Average mass637.758 Da
  • Monoisotopic mass637.346191 Da
  • ChemSpider ID8408548
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(4R,5S,6S,7R,9R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-(Allyloxy)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13 -dien-4-yl acetate [ACD/IUPAC Name]
(4R,5S,6S,7R,9R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-(Allyloxy)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13 -dien-4-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4R,5S,6S,7R,9R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-(allyloxy)-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-5-méthoxy-9,16-diméthyl-2,10-dioxo-7-(2-oxoéthyl)oxacyclohex adéca-11,13-dién-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 759.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.2±6.0 kJ/mol
Flash Point: 413.2±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.15
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 26.70
ACD/KOC (pH 7.4): 291.82
Polar Surface Area: 147 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 545.1±5.0 cm3

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