ChemSpider 2D Image | alangiside | C25H31NO10

alangiside

  • Molecular FormulaC25H31NO10
  • Average mass505.514 Da
  • Monoisotopic mass505.194794 Da
  • ChemSpider ID390678

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(11S,12R,12aS,13aR)-2-Hydroxy-3-methoxy-8-oxo-12-vinyl-5,11,12,12a,13,13a-hexahydro-6H,8H-pyrano[4',3':4,5]pyrido[2,1-a]isochinolin-11-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(11S,12R,12aS,13aR)-2-Hydroxy-3-methoxy-8-oxo-12-vinyl-5,11,12,12a,13,13a-hexahydro-6H,8H-pyrano[4',3':4,5]pyrido[2,1-a]isoquinolin-11-yl β-D-glucopyranoside [ACD/IUPAC Name]
34482-51-4 [RN]
6H,8H-Benzo[a]pyrano[3,4-g]quinolizin-8-one, 12-ethenyl-11-(β-D-glucopyranosyloxy)-5,11,12,12a,13,13a-hexahydro-2-hydroxy-3-methoxy-, (11S,12R,12aS,13aR)- [ACD/Index Name]
alangiside
β-D-Glucopyranoside de (11S,12R,12aS,13aR)-2-hydroxy-3-méthoxy-8-oxo-12-vinyl-5,11,12,12a,13,13a-hexahydro-6H,8H-pyrano[4',3':4,5]pyrido[2,1-a]isoquinoléin-11-yle [French] [ACD/IUPAC Name]
(11S,12R,12aS,13aR)-12-ethenyl-2-hydroxy-3-methoxy-8-oxo-5,11,12,12a,13,13a-hexahydro-6H,8H-pyrano[4',3':4,5]pyrido[2,1-a]isoquinolin-11-yl β-D-glucopyranoside
6H,8H-BENZO[A]PYRANO[3,4-G]QUINOLIZIN-8-ONE,12-ETHENYL-11-(B-D-GLUCOPYRANOSYLOXY)-5,11,12,12A,13,13A-HEXAHYDRO-2-HYDROXY-3-METHOXY-,(11S,12R,12AS,13AR)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486383/

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

C09330 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 794.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.3±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.03
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.01
Polar Surface Area: 158 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 81.0±5.0 dyne/cm
Molar Volume: 331.4±5.0 cm3

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