ChemSpider 2D Image | Methyl (2E,4E,7E,9S)-9-hydroxy-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]dioxin-6-yl]-2,4,7-decatrienoate | C32H49NO11

Methyl (2E,4E,7E,9S)-9-hydroxy-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]dioxin-6-yl]-2,4,7-decatrienoate

  • Molecular FormulaC32H49NO11
  • Average mass623.732 Da
  • Monoisotopic mass623.330566 Da
  • ChemSpider ID8297423

  • 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)-9-Hydroxy-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]-2,4,7-décatriénoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2E,4E,7E,9S)-9-hydroxy-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]dioxin-6-yl]-2,4,7-decatrienoate [ACD/IUPAC Name]
Methyl-(2E,4E,7E,9S)-9-hydroxy-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]dioxin-6-yl]-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: 762.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 415.0±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 162.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 465.24
ACD/KOC (pH 5.5): 2825.72
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 465.23
ACD/KOC (pH 7.4): 2825.64
Polar Surface Area: 151 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 513.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement