ChemSpider 2D Image | Ptaquiloside | C20H30O8

Ptaquiloside

  • Molecular FormulaC20H30O8
  • Average mass398.447 Da
  • Monoisotopic mass398.194061 Da
  • ChemSpider ID30790996
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(2'R,4'S,7a'R)-4'-Hydroxy-2',4',6'-trimethyl-3'-oxo-2',3',3a',4'-tetrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2'R,4'S,7a'R)-4'-Hydroxy-2',4',6'-trimethyl-3'-oxo-2',3',3a',4'-tetrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ptaquiloside [Wiki]
Spiro[cyclopropane-1,5'-[5H]inden]-3'(2'H)-one, 7'a-(β-D-glucopyranosyloxy)-1',3'a,4',7'a-tetrahydro-4'-hydroxy-2',4',6'-trimethyl-, (2'R,4'S,7a'R)- [ACD/Index Name]
β-D-Glucopyranoside de (2'R,4'S,7a'R)-4'-hydroxy-2',4',6'-triméthyl-3'-oxo-2',3',3a',4'-tétrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yle [French] [ACD/IUPAC Name]
87625-62-5 [RN]
Braxin C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 620.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 218.2±25.0 °C
Index of Refraction: 1.620
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.72
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.72
Polar Surface Area: 137 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 276.9±5.0 cm3

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