Found 24 results

Search term: MF = 'C_{11}H_{14}NO_{6}P'
ChemSpider 2D Image | (3S)-1-Methyl-7-(phosphonooxy)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | C11H14NO6P

(3S)-1-Methyl-7-(phosphonooxy)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

  • Molecular FormulaC11H14NO6P
  • Average mass287.206 Da
  • Monoisotopic mass287.055878 Da
  • ChemSpider ID84825524

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-1-Methyl-7-(phosphonooxy)-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(3S)-1-Methyl-7-(phosphonooxy)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-7-(phosphonooxy)-, (3S)- [ACD/Index Name]
Acide (3S)-1-méthyl-7-(phosphonooxy)-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 554.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.4±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -4.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 191.2±3.0 cm3

Click to predict properties on the Chemicalize site


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