ChemSpider 2D Image | validoxylamine A 7'-phosphate | C14H26NO11P

validoxylamine A 7'-phosphate

  • Molecular FormulaC14H26NO11P
  • Average mass415.330 Da
  • Monoisotopic mass415.124359 Da
  • ChemSpider ID25060099
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

[(1R,2R,3S,4S,5S)-2,3,4-Trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(1R,2R,3S,4S,5S)-2,3,4-Trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}cyclohexyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
4-Cyclohexene-1,2,3-triol, 4-(hydroxymethyl)-6-[[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-[(phosphonooxy)methyl]cyclohexyl]amino]-, (1S,2S,3R,6S)- [ACD/Index Name]
Dihydrogénophosphate de [(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}cyclohexyl]méthyle [French] [ACD/IUPAC Name]
Validoxylamine A 6'-O-phosphate
validoxylamine A 7'-phosphate
[(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate
VDO

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

Density: 1.8±0.1 g/cm3
Boiling Point: 715.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.5±6.0 kJ/mol
Flash Point: 386.5±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.55
ACD/LogD (pH 5.5): -6.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 112.0±5.0 dyne/cm
Molar Volume: 236.8±5.0 cm3

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