ChemSpider 2D Image | 2-deoxy-20-hydroxyecdysone 22-phosphate | C27H45O9P

2-deoxy-20-hydroxyecdysone 22-phosphate

  • Molecular FormulaC27H45O9P
  • Average mass544.615 Da
  • Monoisotopic mass544.280090 Da
  • ChemSpider ID19984404

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β,22R)-3,14,20,25-Tetrahydroxy-6-oxocholest-7-en-22-yl dihydrogen phosphate [ACD/IUPAC Name]
(3β,5β,22R)-3,14,20,25-Tetrahydroxy-6-oxocholest-7-en-22-yldihydrogenphosphat [German] [ACD/IUPAC Name]
2-deoxy-20-hydroxyecdysone 22-phosphate
Cholest-7-en-6-one, 3,14,20,25-tetrahydroxy-22-(phosphonooxy)-, (3β,5β,22R)- [ACD/Index Name]
Dihydrogénophosphate de (3β,5β,22R)-3,14,20,25-tétrahydroxy-6-oxocholest-7-én-22-yle [French] [ACD/IUPAC Name]
(22R)-3β,14,20,25-tetrahydroxy-6-oxo-5β-cholest-7-en-22-yl dihydrogen phosphate
2-Deoxy-20-hydroxyecdysone-22-phosphate
2-Dhe-22-P
3β,5β,22R-3,14,20,25-tetrahydroxy-22-(phosphonooxy)-cholest-7-en-6-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 763.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.8±6.0 kJ/mol
Flash Point: 415.3±35.7 °C
Index of Refraction: 1.587
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 405.8±5.0 cm3

Click to predict properties on the Chemicalize site


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