ChemSpider 2D Image | (2S)-2-[12-Ethyl-2-(beta-D-glucopyranuronosyloxy)-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate | C28H29N2O12

(2S)-2-[12-Ethyl-2-(β-D-glucopyranuronosyloxy)-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate

  • Molecular FormulaC28H29N2O12
  • Average mass585.537 Da
  • Monoisotopic mass585.172607 Da
  • ChemSpider ID391424

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-[12-Ethyl-2-(β-D-glucopyranuronosyloxy)-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]chinolin-7-yl]-2-hydroxybutanoat [German] [ACD/IUPAC Name]
(2S)-2-[12-Éthyl-2-(β-D-glucopyranuronosyloxy)-8-(hydroxyméthyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinoléin-7-yl]-2-hydroxybutanoate [French] [ACD/IUPAC Name]
(2S)-2-[12-Ethyl-2-(β-D-glucopyranuronosyloxy)-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate [ACD/IUPAC Name]
Indolizino[1,2-b]quinoline-7-acetic acid, α,12-diethyl-2-(β-D-glucopyranuronosyloxy)-9,11-dihydro-α-hydroxy-8-(hydroxymethyl)-9-oxo-, ion(1-), (αS)- [ACD/Index Name]
SN38 glucuronide carboxylate form

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

C11375 [DBID]

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

Density:
Boiling Point: 1035.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.6±3.0 kJ/mol
Flash Point: 579.9±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement