ChemSpider 2D Image | 1-[2-(3-Phenylpropanoyl)phenoxy]-3-(propylamino)-2-propanyl beta-D-glucopyranosiduronic acid | C27H35NO9

1-[2-(3-Phenylpropanoyl)phenoxy]-3-(propylamino)-2-propanyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H35NO9
  • Average mass517.568 Da
  • Monoisotopic mass517.231201 Da
  • ChemSpider ID160929

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-[2-(3-Phenylpropanoyl)phenoxy]-3-(propylamino)-2-propanyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
1-[2-(3-Phenylpropanoyl)phenoxy]-3-(propylamino)-2-propanyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
1-Propanone, 1-[2-[2-(β-D-glucopyranuronosyloxy)-3-(propylamino)propoxy]phenyl]-3-phenyl- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 1-[2-(3-phénylpropanoyl)phénoxy]-3-(propylamino)-2-propanyle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-((1-(2-(3-phenylpropanoyl)phenoxy)-3-(propylamino)propan-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[1-[2-(3-PHENYLPROPANOYL)PHENOXY]-3-PROPYLAMINO-PROPAN-2-YL]OXY-OXANE-2-CARBOXYLIC ACID
91411-76-6 [RN]
Propafenone glucuronide
Propafenone β-D-Glucuronide
Propafenone β-D-Glucuronide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 766.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.3±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 387.2±5.0 cm3

Click to predict properties on the Chemicalize site


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