ChemSpider 2D Image | (17alpha)-3-Oxo-19-norpregn-4-en-20-yn-17-yl beta-D-glucopyranosiduronic acid | C26H34O8

(17α)-3-Oxo-19-norpregn-4-en-20-yn-17-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC26H34O8
  • Average mass474.543 Da
  • Monoisotopic mass474.225372 Da
  • ChemSpider ID62991039

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(17α)-3-Oxo-19-norpregn-4-en-20-in-17-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
(17α)-3-Oxo-19-norpregn-4-en-20-yn-17-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (17α)-3-oxo-19-norprégn-4-én-20-yn-17-yle [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-ethynyl-17-(β-D-glucopyranuronosyloxy)-, (17β)- [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
1040377-02-3 [RN]
64701-11-7 [RN]
Norethindrone β-D-Glucuronide
Norethindrone-17-O-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: 688.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 231.4±25.0 °C
Index of Refraction: 1.620
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 340.1±5.0 cm3

Click to predict properties on the Chemicalize site


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