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Search term: C1[C@]2([C@@H](C[C@@H](C1)OP(=O)([O-])[O-])C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)[C@@H](CCC(C)(C)O)O)O)C)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | 3-Phospho-epi-2-deoxyecdysone | C27H45O8P

3-Phospho-epi-2-deoxyecdysone

  • Molecular FormulaC27H45O8P
  • Average mass528.615 Da
  • Monoisotopic mass528.285217 Da
  • ChemSpider ID10310517

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5β,22R)-14,22,25-Trihydroxy-6-oxocholest-7-en-3-yl dihydrogen phosphate [ACD/IUPAC Name]
(3α,5β,22R)-14,22,25-Trihydroxy-6-oxocholest-7-en-3-yldihydrogenphosphat [German] [ACD/IUPAC Name]
3-Phospho-epi-2-deoxyecdysone
Cholest-7-en-6-one, 14,22,25-trihydroxy-3-(phosphonooxy)-, (3α,5β,22R)- [ACD/Index Name]
Dihydrogénophosphate de (3α,5β,22R)-14,22,25-trihydroxy-6-oxocholest-7-én-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 379.8±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: 0.85
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.31
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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