ChemSpider 2D Image | [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy -5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name) | C36H62N2O11

[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy -5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name)

  • Molecular FormulaC36H62N2O11
  • Average mass698.884 Da
  • Monoisotopic mass698.435364 Da
  • ChemSpider ID107450741

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 15 defined stereocentres

More details:

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

[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy -5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyd (non-preferred name) [German] [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy -5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name) [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3,5-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-10-{[(5S,6R)-5-(diméthylamino)-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-4-hydroxy -5-méthoxy-9,16-diméthyl-2-oxooxacyclohexadéca-11,13-dién-7-yl]acétaldéhyde (non-preferred name) [French] [ACD/IUPAC Name]
102418-06-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 823.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.2±6.0 kJ/mol
Flash Point: 451.9±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 185.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.39
Polar Surface Area: 157 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 588.6±5.0 cm3

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