ChemSpider 2D Image | Methyl (2S,3R,4S)-2-(hexopyranosyloxy)-4-({(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate | C29H38O12

Methyl (2S,3R,4S)-2-(hexopyranosyloxy)-4-({(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC29H38O12
  • Average mass578.605 Da
  • Monoisotopic mass578.236328 Da
  • ChemSpider ID4572729

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

(2S,3R,4S)-2-(Hexopyranosyloxy)-4-({(2S,6S)-6-[2-(4-hydroxyphényl)éthyl]-4-oxotétrahydro-2H-pyran-2-yl}méthyl)-3-vinyl-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(hexopyranosyloxy)-3,4-dihydro-4-[[(2S,6S)-tetrahydro-6-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2H-pyran-2-yl]methyl]-, methyl ester, (2S,3R,4S)- [ACD/Index Name]
Methyl (2S,3R,4S)-2-(hexopyranosyloxy)-4-({(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(2S,3R,4S)-2-(hexopyranosyloxy)-4-({(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]
74565-25-6 [RN]
HYDRANGENOSIDE C

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

NSC360034 [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: 779.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 252.0±26.4 °C
Index of Refraction: 1.610
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.44
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.40
Polar Surface Area: 181 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 412.5±5.0 cm3

Click to predict properties on the Chemicalize site


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