ChemSpider 2D Image | 1-[(1R,2S,4S,6R,13S,16R,19S)-14-Ethyl-2,3-dihydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docos-21-yl]ethanone | C27H41NO8

1-[(1R,2S,4S,6R,13S,16R,19S)-14-Ethyl-2,3-dihydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-21-yl]ethanone

  • Molecular FormulaC27H41NO8
  • Average mass507.616 Da
  • Monoisotopic mass507.283203 Da
  • ChemSpider ID10145901

  • defined stereocentres - 6 of 13 defined stereocentres

More details:

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

1-[(1R,2S,4S,6R,13S,16R,19S)-14-Ethyl-2,3-dihydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-21-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1R,2S,4S,6R,13S,16R,19S)-14-Ethyl-2,3-dihydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-21-yl]ethanone [ACD/IUPAC Name]
1-[(1R,2S,4S,6R,13S,16R,19S)-14-Éthyl-2,3-dihydroxy-4,6,19-triméthoxy-16-méthyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-21-yl]éthanone [French] [ACD/IUPAC Name]

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

Prestwick_156 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 10.92
ACD/KOC (pH 5.5): 64.10
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 324.55
ACD/KOC (pH 7.4): 1905.73
Polar Surface Area: 107 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 373.8±5.0 cm3

Click to predict properties on the Chemicalize site


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