ChemSpider 2D Image | 2-deoxyecdysone 22-phosphate | C27H45O8P

2-deoxyecdysone 22-phosphate

  • Molecular FormulaC27H45O8P
  • Average mass528.615 Da
  • Monoisotopic mass528.285217 Da
  • ChemSpider ID19983768

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β,22R)-3,14,25-Trihydroxy-22-(phosphonooxy)cholest-7-en-6-one
(3β,5β,22R)-3,14,25-Trihydroxy-6-oxocholest-7-en-22-yl dihydrogen phosphate [ACD/IUPAC Name]
(3β,5β,22R)-3,14,25-Trihydroxy-6-oxocholest-7-en-22-yldihydrogenphosphat [German] [ACD/IUPAC Name]
2-deoxyecdysone 22-phosphate
82183-63-9 [RN]
Cholest-7-en-6-one, 3,14,25-trihydroxy-22-(phosphonooxy)-, (3β,5β,22R)- [ACD/Index Name]
Dihydrogénophosphate de (3β,5β,22R)-3,14,25-trihydroxy-6-oxocholest-7-én-22-yle [French] [ACD/IUPAC Name]
(22R)-3β,14,25-trihydroxy-6-oxo-5β-cholest-7-en-22-yl dihydrogen phosphate
2-Deoxyecdysone-22-phosphate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 711.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.8±6.0 kJ/mol
Flash Point: 383.9±35.7 °C
Index of Refraction: 1.573
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

Click to predict properties on the Chemicalize site


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