ChemSpider 2D Image | (11S,12R,12aS,13aR)-1-Hydroxy-2-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 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C33H39NO14

(11S,12R,12aS,13aR)-1-Hydroxy-2-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 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC33H39NO14
  • Average mass673.661 Da
  • Monoisotopic mass673.237061 Da
  • ChemSpider ID8755735

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(11S,12R,12aS,13aR)-1-Hydroxy-2-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-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(11S,12R,12aS,13aR)-1-Hydroxy-2-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 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de (11S,12R,12aS,13aR)-1-hydroxy-2-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]
6H,8H-Benzo[a]pyrano[3,4-g]quinolizin-8-one, 12-ethenyl-5,11,12,12a,13,13a-hexahydro-1-hydroxy-2-methoxy-11-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, (11S,12R,12aS,13aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 400.3±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.96
ACD/KOC (pH 5.5): 793.89
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.38
ACD/KOC (pH 7.4): 788.10
Polar Surface Area: 183 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 481.6±5.0 cm3

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