ChemSpider 2D Image | Methyl (2E,4E,7E,9S)-10-[(4R,4aS,6R,8S,8aR)-4-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetyl}amino)-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]d ioxin-6-yl]-9-methoxy-2,4,7-decatrienoate | C33H51NO11

Methyl (2E,4E,7E,9S)-10-[(4R,4aS,6R,8S,8aR)-4-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetyl}amino)-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]d ioxin-6-yl]-9-methoxy-2,4,7-decatrienoate

  • Molecular FormulaC33H51NO11
  • Average mass637.758 Da
  • Monoisotopic mass637.346191 Da
  • ChemSpider ID8408547

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E,4E,7E,9S)-10-[(4R,4aS,6R,8S,8aR)-4-({(2S)-2-Hydroxy-2-[(2R,5R,6R)-2-méthoxy-5,6-diméthyl-4-méthylènetétrahydro-2H-pyran-2-yl]acétyl}amino)-8-méthoxy-7,7-diméthylhexahydropyrano[3,2-d][1,3]dioxin-6 -yl]-9-méthoxy-2,4,7-décatriénoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2E,4E,7E,9S)-10-[(4R,4aS,6R,8S,8aR)-4-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetyl}amino)-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]d ioxin-6-yl]-9-methoxy-2,4,7-decatrienoate [ACD/IUPAC Name]
Methyl-(2E,4E,7E,9S)-10-[(4R,4aS,6R,8S,8aR)-4-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylentetrahydro-2H-pyran-2-yl]acetyl}amino)-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]di oxin-6-yl]-9-methoxy-2,4,7-decatrienoat [German] [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: 754.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 410.3±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 167.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1420.82
ACD/KOC (pH 5.5): 6283.27
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1420.78
ACD/KOC (pH 7.4): 6283.10
Polar Surface Area: 140 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 538.5±5.0 cm3

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