ChemSpider 2D Image | (4S)-4,5-Diamino-3-oxopentyl dihydrogen phosphate | C5H13N2O5P

(4S)-4,5-Diamino-3-oxopentyl dihydrogen phosphate

  • Molecular FormulaC5H13N2O5P
  • Average mass212.141 Da
  • Monoisotopic mass212.056213 Da
  • ChemSpider ID61715873

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4,5-Diamino-3-oxopentyl dihydrogen phosphate [ACD/IUPAC Name]
(4S)-4,5-Diamino-3-oxopentyldihydrogenphosphat [German] [ACD/IUPAC Name]
3-Pentanone, 1,2-diamino-5-(phosphonooxy)-, (2S)- [ACD/Index Name]
Dihydrogénophosphate de (4S)-4,5-diamino-3-oxopentyle [French] [ACD/IUPAC Name]
[({e},4{s})-4-Azanyl-3-Oxidanylidene-Pent-1-Enyl]dihydrogen Phosphate
KPR

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

Density: 1.5±0.1 g/cm3
Boiling Point: 475.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 241.5±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.81
ACD/LogD (pH 5.5): -5.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 75.4±3.0 dyne/cm
Molar Volume: 141.4±3.0 cm3

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