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}-4-hydroxy-5-methoxy-9,16-dimethyl-2,10-dioxooxacyclohexadeca-11,13-die n-7-yl]acetaldehyde | C31H49NO10

[(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}-4-hydroxy-5-methoxy-9,16-dimethyl-2,10-dioxooxacyclohexadeca-11,13-die n-7-yl]acetaldehyde

  • Molecular FormulaC31H49NO10
  • Average mass595.721 Da
  • Monoisotopic mass595.335632 Da
  • ChemSpider ID8364303

  • 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}-4-hydroxy-5-methoxy-9,16-dimethyl-2,10-dioxooxacyclohexadeca-11,13-die n-7-yl]acetaldehyd [German] [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}-4-hydroxy-5-methoxy-9,16-dimethyl-2,10-dioxooxacyclohexadeca-11,13-die n-7-yl]acetaldehyde [ACD/IUPAC Name]
[(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}-4-hydroxy-5-méthoxy-9,16-diméthyl-2,10-dioxooxacyclohexadéca-11,13-dié n-7-yl]acétaldéhyde [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: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 411.8±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.40
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 5.81
ACD/KOC (pH 7.4): 97.91
Polar Surface Area: 141 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 507.6±5.0 cm3

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