ChemSpider 2D Image | (3R)-5-Methyl-8-{[(3-oxido-3-dioxaphosphiranyl)oxy]methyl}-1,6-diazaspiro[2.5]octa-4,6-dien-4-ol | C8H11N2O5P

(3R)-5-Methyl-8-{[(3-oxido-3-dioxaphosphiranyl)oxy]methyl}-1,6-diazaspiro[2.5]octa-4,6-dien-4-ol

  • Molecular FormulaC8H11N2O5P
  • Average mass246.157 Da
  • Monoisotopic mass246.040558 Da
  • ChemSpider ID61715548

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-5-Methyl-8-{[(3-oxido-3-dioxaphosphiranyl)oxy]methyl}-1,6-diazaspiro[2.5]octa-4,6-dien-4-ol [German] [ACD/IUPAC Name]
(3R)-5-Methyl-8-{[(3-oxido-3-dioxaphosphiranyl)oxy]methyl}-1,6-diazaspiro[2.5]octa-4,6-dien-4-ol [ACD/IUPAC Name]
(3R)-5-Méthyl-8-{[(3-oxydo-3-dioxaphosphiranyl)oxy]méthyl}-1,6-diazaspiro[2.5]octa-4,6-dién-4-ol [French] [ACD/IUPAC Name]
(3R,8S)-5-Methyl-8-{[(3-oxido-3-dioxaphosphiranyl)oxy]methyl}-1,6-diazaspiro[2.5]octa-4,6-dien-4-ol [German] [ACD/IUPAC Name]
(3R,8S)-5-Methyl-8-{[(3-oxido-3-dioxaphosphiranyl)oxy]methyl}-1,6-diazaspiro[2.5]octa-4,6-dien-4-ol [ACD/IUPAC Name]
(3R,8S)-5-Méthyl-8-{[(3-oxydo-3-dioxaphosphiranyl)oxy]méthyl}-1,6-diazaspiro[2.5]octa-4,6-dién-4-ol [French] [ACD/IUPAC Name]
1,6-Diazaspiro[2.5]octa-4,6-dien-4-ol, 5-methyl-8-[[(3-oxido-3-dioxaphosphiranyl)oxy]methyl]-, (3R)- [ACD/Index Name]
1,6-Diazaspiro[2.5]octa-4,6-dien-4-ol, 5-methyl-8-[[(3-oxido-3-dioxaphosphiranyl)oxy]methyl]-, (3R,8S)- [ACD/Index Name]
PLP
Pyridoxal-5'-phosphate

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

Density: 2.0±0.1 g/cm3
Boiling Point: 379.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 183.3±30.7 °C
Index of Refraction: 1.756
Molar Refractivity: 50.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 93.8±7.0 dyne/cm
Molar Volume: 124.3±7.0 cm3

Click to predict properties on the Chemicalize site


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