ChemSpider 2D Image | triphyllin A | C30H40O16

triphyllin A

  • Molecular FormulaC30H40O16
  • Average mass656.629 Da
  • Monoisotopic mass656.231628 Da
  • ChemSpider ID10270535

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R,4S)-5-(β-D-Glucopyranosyloxy)-4-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2R,4S)-5-(β-D-Glucopyranosyloxy)-4-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
triphyllin A
β-D-Glucopyranoside de (2R,4S)-5-(β-D-glucopyranosyloxy)-4-hydroxy-6-(hydroxyméthyl)-2-(4-méthoxyphényl)-8-méthyl-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2R,4S)-5-(β-D-glucopyranosyloxy)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenyl)-8-methyl-2H-1-benzopyran-7-yl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 933.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.2±3.0 kJ/mol
Flash Point: 518.1±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 258 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 416.7±3.0 cm3

Click to predict properties on the Chemicalize site


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