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Search term: MHKQCKWRWFVLGF-FQEVSTJZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-[1-Amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid | C20H19N3O5

(2S)-2-[1-Amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid

  • Molecular FormulaC20H19N3O5
  • Average mass381.382 Da
  • Monoisotopic mass381.132477 Da
  • ChemSpider ID35035663

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[1-Amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]chinolin-7-yl]-2-hydroxybutansäure [German] [ACD/IUPAC Name]
(2S)-2-[1-Amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid [ACD/IUPAC Name]
Acide (2S)-2-[1-amino-8-(hydroxyméthyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinoléin-7-yl]-2-hydroxybutanoïque [French] [ACD/IUPAC Name]
Indolizino[1,2-b]quinoline-7-acetic acid, 1-amino-α-ethyl-9,11-dihydro-α-hydroxy-8-(hydroxymethyl)-9-oxo-, (αS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 837.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 460.3±34.3 °C
Index of Refraction: 1.774
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 99.5±5.0 dyne/cm
Molar Volume: 240.7±5.0 cm3

Click to predict properties on the Chemicalize site


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