ChemSpider 2D Image | 9-{5-O-[Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}(~13~C_5_)phosphoryl]-beta-D-ribofuranosyl}-2-(~15~N)imino(~13~C_5_,~15~N_4_)-3,9-dihydro-2H-purin-6-ol | 13C10H1615N5O14P3

9-{5-O-[Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}(13C5)phosphoryl]-β-D-ribofuranosyl}-2-(15N)imino(13C5,15N4)-3,9-dihydro-2H-purin-6-ol

  • Molecular Formula13C10H1615N5O14P3
  • Average mass538.074 Da
  • Monoisotopic mass538.009399 Da
  • ChemSpider ID57267188

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2H-Purin-6-ol-2,4,5,6,8-13C5-1,3,7,9-15N4, 3,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl-13C5]-β-D-ribofuranosyl]-2-(imino-15N)- [ACD/Index Name]
9-{5-O-[Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}(13C5)phosphoryl]-β-D-ribofuranosyl}-2-(15N)imino(13C5,15N4)-3,9-dihydro-2H-purin-6-ol [German] [ACD/IUPAC Name]
9-{5-O-[Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}(13C5)phosphoryl]-β-D-ribofuranosyl}-2-(15N)imino(13C5,15N4)-3,9-dihydro-2H-purin-6-ol [ACD/IUPAC Name]
9-{5-O-[Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}(13C5)phosphoryl]-β-D-ribofuranosyl}-2-(15N)imino(13C5,15N4)-3,9-dihydro-2H-purin-6-ol [French] [ACD/IUPAC Name]
GTP (U-13C10, U-15N5)

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

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.936
Molar Refractivity: 90.7±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 215.8±7.0 dyne/cm
Molar Volume: 189.6±7.0 cm3

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