ChemSpider 2D Image | SN38 glucuronide | C28H28N2O11

SN38 glucuronide

  • Molecular FormulaC28H28N2O11
  • Average mass568.529 Da
  • Monoisotopic mass568.169312 Da
  • ChemSpider ID391426

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-9-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
121080-63-5 [RN]
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-9-(β-D-glucopyranuronosyloxy)-4-hydroxy-, (4S)- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de (4S)-4,11-diéthyl-4-hydroxy-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-9-yle [French] [ACD/IUPAC Name]
SN38 glucuronide
SN-38 Glucuronide
(2S,3S,4S,5R,6S)-6-{[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl-?-D-glucopyranosiduronic acid
(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl-β-D-glucopyranosiduronic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C11376 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1019.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.0±3.0 kJ/mol
Flash Point: 570.5±34.3 °C
Index of Refraction: 1.746
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 340.1±5.0 cm3

Click to predict properties on the Chemicalize site


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