ChemSpider 2D Image | PicrosideI | C24H28O11

PicrosideI

  • Molecular FormulaC24H28O11
  • Average mass492.473 Da
  • Monoisotopic mass492.163147 Da
  • ChemSpider ID23089604

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1aR,1bS,5aR,6S,6aS)-6-Hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl 6-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(1aR,1bS,5aR,6S,6aS)-6-Hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl 6-O-[(2E)-3-phenylprop-2-enoyl]-β-D-glucopyranoside
(1aR,1bS,5aR,6S,6aS)-6-Hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-6-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-Phényl-2-propenoyl]-β-D-glucopyranoside de (1aR,1bS,5aR,6S,6aS)-6-hydroxy-1a-(hydroxyméthyl)-1a,1b,2,5a,6,6a-hexahydrooxiréno[4,5]cyclopenta[1,2-c]pyran-2-yle [French] [ACD/IUPAC Name]
PicrosideI
β-D-Glucopyranoside, (1aR,1bS,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]- [ACD/Index Name]
27409-30-9 [RN]
MFCD00017720 [MDL number]
Picroside I

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

Density: 1.6±0.1 g/cm3
Boiling Point: 778.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 267.5±26.4 °C
Index of Refraction: 1.671
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 46.09
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 46.08
Polar Surface Area: 168 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 82.1±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

Click to predict properties on the Chemicalize site


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