ChemSpider 2D Image | 2-({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}amino)ethyl dihydrogen phosphate | C10H20NO5PS2

2-({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}amino)ethyl dihydrogen phosphate

  • Molecular FormulaC10H20NO5PS2
  • Average mass329.373 Da
  • Monoisotopic mass329.052063 Da
  • ChemSpider ID31125680

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Dithiolane-3-pentanamide, N-[2-(phosphonooxy)ethyl]-, (3R)- [ACD/Index Name]
2-({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}amino)ethyl dihydrogen phosphate [ACD/IUPAC Name]
2-({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}amino)ethyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2-({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}amino)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.565
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 239.2±3.0 cm3

Click to predict properties on the Chemicalize site


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