ChemSpider 2D Image | Pumiloside | C26H28N2O9

Pumiloside

  • Molecular FormulaC26H28N2O9
  • Average mass512.508 Da
  • Monoisotopic mass512.179504 Da
  • ChemSpider ID8521772

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,4R,4aS,5aS)-11,14-Dioxo-4-vinyl-3,4,4a,5,5a,6,11,12-octahydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3S,4R,4aS,5aS)-11,14-Dioxo-4-vinyl-3,4,4a,5,5a,6,11,12-octahydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
126722-26-7 [RN]
14H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11,14(3H)-dione, 4-ethenyl-3-(β-D-glucopyranosyloxy)-4,4a,5,5a,6,12-hexahydro-, (3S,4R,4aS,5aS)- [ACD/Index Name]
Pumiloside
β-D-Glucopyranoside de (3S,4R,4aS,5aS)-11,14-dioxo-4-vinyl-3,4,4a,5,5a,6,11,12-octahydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-3-yle [French] [ACD/IUPAC Name]
(1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
BRD-K15525563-001-01-1

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

Density: 1.6±0.1 g/cm3
Boiling Point: 814.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.4±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.86
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.86
Polar Surface Area: 158 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 323.7±5.0 cm3

Click to predict properties on the Chemicalize site


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