ChemSpider 2D Image | Altoqualine | C27H36N2O8

Altoqualine

  • Molecular FormulaC27H36N2O8
  • Average mass516.583 Da
  • Monoisotopic mass516.247192 Da
  • ChemSpider ID2301104

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-7-Amino-4,5,6-triethoxy-3-((1R)-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-2-benzofuran-1(3H)-one
(3S)-7-Amino-4,5,6-triethoxy-3-((1R)-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)phthalide
(3S)-7-Amino-4,5,6-triethoxy-3-[(1R)-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
(3S)-7-Amino-4,5,6-triéthoxy-3-[(1R)-6,7,8-triméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
(3S)-7-Amino-4,5,6-triethoxy-3-[(1R)-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-isoquinolinyl)-, [S-(R*,S*)]-
1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-[(1R)-1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-isoquinolinyl]-, (3S)- [ACD/Index Name]
121029-11-6 [RN]
56G228IW9Q
Altoqualine [INN] [Wiki]
More...

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

6415 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 649.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.6±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 52.65
ACD/KOC (pH 5.5): 353.00
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 308.29
ACD/KOC (pH 7.4): 2066.76
Polar Surface Area: 111 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 422.8±3.0 cm3

Click to predict properties on the Chemicalize site


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