ChemSpider 2D Image | Allyl [(2S)-1-[(1R,12S,13R)-9-(allyloxy)-13-hydroxy-8-methyl-4,6,14-trioxa-16-azatetracyclo[10.3.1.0~2,10~.0~3,7~]hexadeca-2,7,9-trien-16-yl]-3-(3,5-dihydroxy-4-methoxyphenyl)-1-oxo-2-propanyl]carbama te | C30H34N2O11

Allyl [(2S)-1-[(1R,12S,13R)-9-(allyloxy)-13-hydroxy-8-methyl-4,6,14-trioxa-16-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2,7,9-trien-16-yl]-3-(3,5-dihydroxy-4-methoxyphenyl)-1-oxo-2-propanyl]carbama te

  • Molecular FormulaC30H34N2O11
  • Average mass598.598 Da
  • Monoisotopic mass598.216248 Da
  • ChemSpider ID9247218

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-[(1R,12S,13R)-9-(Allyloxy)-13-hydroxy-8-méthyl-4,6,14-trioxa-16-azatétracyclo[10.3.1.02,10.03,7]hexadéca-2,7,9-trién-16-yl]-3-(3,5-dihydroxy-4-méthoxyphényl)-1-oxo-2-propanyl]carbamate d'a
 llyle [French] [ACD/IUPAC Name]
Allyl [(2S)-1-[(1R,12S,13R)-9-(allyloxy)-13-hydroxy-8-methyl-4,6,14-trioxa-16-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2,7,9-trien-16-yl]-3-(3,5-dihydroxy-4-methoxyphenyl)-1-oxo-2-propanyl]carbama 
te [ACD/IUPAC Name]
Allyl-[(2S)-1-[(1R,12S,13R)-9-(allyloxy)-13-hydroxy-8-methyl-4,6,14-trioxa-16-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2,7,9-trien-16-yl]-3-(3,5-dihydroxy-4-methoxyphenyl)-1-oxo-2-propanyl]carbama 
t [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[(3,5-dihydroxy-4-methoxyphenyl)methyl]-2-oxo-2-[(7S,8R,11R)-7,8,10,11-tetrahydro-8-hydroxy-4-methyl-5-(2-propen-1-yloxy)-6H-1,3-dioxolo[4,5-j][3]benzoxocin-7,11-imin-12-yl]et hyl]-, 2-propen-1-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 841.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 462.4±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.17
ACD/KOC (pH 5.5): 751.73
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.39
ACD/KOC (pH 7.4): 743.78
Polar Surface Area: 165 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 432.3±3.0 cm3

Click to predict properties on the Chemicalize site


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