ChemSpider 2D Image | (8xi,9xi,11alpha,14xi)-3,20-Dioxopregn-4-en-11-yl beta-D-glucopyranosiduronic acid | C27H38O9

(8ξ,9ξ,11α,14ξ)-3,20-Dioxopregn-4-en-11-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H38O9
  • Average mass506.585 Da
  • Monoisotopic mass506.251587 Da
  • ChemSpider ID169582
  • defined stereocentres - 9 of 12 defined stereocentres


More details:






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

(8ξ,9ξ,11α,14ξ)-3,20-Dioxopregn-4-en-11-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(8ξ,9ξ,11α,14ξ)-3,20-Dioxopregn-4-en-11-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (8ξ,9ξ,11α,14ξ)-3,20-dioxoprégn-4-én-11-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 11-(β-D-glucopyranuronosyloxy)-, (8ξ,9ξ,11α,14ξ)- [ACD/Index Name]
11-Hpg
11-Hydroxyprogesterone 11-glucuronide
129238-72-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 719.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 238.2±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 368.6±5.0 cm3

Click to predict properties on the Chemicalize site






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