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Search term: BMGILTGWINXQEO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | [(3R)-8-Hydroxy-7-methyl-1,6-diazaspiro[2.5]octa-5,7-dien-4-yl]methyl dihydrogen phosphate | C8H13N2O5P

[(3R)-8-Hydroxy-7-methyl-1,6-diazaspiro[2.5]octa-5,7-dien-4-yl]methyl dihydrogen phosphate

  • Molecular FormulaC8H13N2O5P
  • Average mass248.173 Da
  • Monoisotopic mass248.056213 Da
  • ChemSpider ID61714269
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

[(3R)-8-Hydroxy-7-methyl-1,6-diazaspiro[2.5]octa-5,7-dien-4-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(3R)-8-Hydroxy-7-methyl-1,6-diazaspiro[2.5]octa-5,7-dien-4-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[(3R,4R)-8-Hydroxy-7-methyl-1,6-diazaspiro[2.5]octa-5,7-dien-4-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(3R,4R)-8-Hydroxy-7-methyl-1,6-diazaspiro[2.5]octa-5,7-dien-4-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,6-Diazaspiro[2.5]octa-5,7-diene-4-methanol, 8-hydroxy-7-methyl-, α-(dihydrogen phosphate), (3R)- [ACD/Index Name]
1,6-Diazaspiro[2.5]octa-5,7-diene-4-methanol, 8-hydroxy-7-methyl-, α-(dihydrogen phosphate), (3R,4R)- [ACD/Index Name]
Dihydrogénophosphate de [(3R)-8-hydroxy-7-méthyl-1,6-diazaspiro[2.5]octa-5,7-dién-4-yl]méthyle [French] [ACD/IUPAC Name]
Dihydrogénophosphate de [(3R,4R)-8-hydroxy-7-méthyl-1,6-diazaspiro[2.5]octa-5,7-dién-4-yl]méthyle [French] [ACD/IUPAC Name]
PLP
Pyridoxal-5'-phosphate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 528.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.8±6.0 kJ/mol
Flash Point: 273.2±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 52.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 90.6±7.0 dyne/cm
Molar Volume: 134.4±7.0 cm3

Click to predict properties on the Chemicalize site






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