ChemSpider 2D Image | (2S,3S)-2,3,4-Trihydroxy-3-(~13~C)methyl(~13~C_4_)butyl dihydrogen phosphate | 13C5H13O7P

(2S,3S)-2,3,4-Trihydroxy-3-(13C)methyl(13C4)butyl dihydrogen phosphate

  • Molecular Formula13C5H13O7P
  • Average mass221.090 Da
  • Monoisotopic mass221.056656 Da
  • ChemSpider ID13181984
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-2,3,4-Trihydroxy-3-(13C)methyl(13C4)butyl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3S)-2,3,4-Trihydroxy-3-(13C)methyl(13C4)butyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,2,3,4-Butanetetrol-1,2,3,4-13C4, 2-(methyl-13C)-, 4-(dihydrogen phosphate), (2S,3S)- [ACD/Index Name]
Dihydrogénophosphate de (2S,3S)-2,3,4-trihydroxy-3-(13C)méthyl(13C4)butyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.553
Molar Refractivity: 41.4±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
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:
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 90.0±3.0 dyne/cm
Molar Volume: 129.5±3.0 cm3

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