ChemSpider 2D Image | (2R,4R,4aR,7aR)-2-Phenyloctahydrocyclopenta[b]pyran-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C26H38O12

(2R,4R,4aR,7aR)-2-Phenyloctahydrocyclopenta[b]pyran-4-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC26H38O12
  • Average mass542.573 Da
  • Monoisotopic mass542.236328 Da
  • ChemSpider ID60573862

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R,4R,4aR,7aR)-2-Phenyloctahydrocyclopenta[b]pyran-4-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,4R,4aR,7aR)-2-Phenyloctahydrocyclopenta[b]pyran-4-yl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (2R,4R,4aR,7aR)-2-phényloctahydrocyclopenta[b]pyran-4-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2R,4R,4aR,7aR)-octahydro-2-phenylcyclopenta[b]pyran-4-yl 4-O-β-D-glucopyranosyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 795.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 435.1±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.76
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.76
Polar Surface Area: 188 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 80.1±5.0 dyne/cm
Molar Volume: 360.8±5.0 cm3

Click to predict properties on the Chemicalize site


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