ChemSpider 2D Image | 5-{3-[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}pentyl (5xi)-beta-D-xylo-hexopyranosiduronic acid | C27H37NO8

5-{3-[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}pentyl (5ξ)-β-D-xylo-hexopyranosiduronic acid

  • Molecular FormulaC27H37NO8
  • Average mass503.585 Da
  • Monoisotopic mass503.251923 Da
  • ChemSpider ID68025525

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5-{3-[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}pentyl (5ξ)-β-D-xylo-hexopyranosiduronic acid [ACD/IUPAC Name]
5-{3-[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}pentyl-(5ξ)-β-D-xylo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-β-D-xylo-hexopyranosiduronique de 5-{3-[(2,2,3,3-tétraméthylcyclopropyl)carbonyl]-1H-indol-1-yl}pentyle [French] [ACD/IUPAC Name]
Methanone, [1-[5-[(5ξ)-β-D-xylo-hexopyranuronosyloxy]pentyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)- [ACD/Index Name]
1630023-01-6 [RN]
UR-144 N-(5-hydroxypentyl) β-D-Glucuronide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 367.3±7.0 cm3

Click to predict properties on the Chemicalize site


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