ChemSpider 2D Image | (2R)-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl){[(2R)-1-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-oxo-2-propanyl]oxy}acetic acid | C10H14N5O14P3

(2R)-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl){[(2R)-1-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-oxo-2-propanyl]oxy}acetic acid

  • Molecular FormulaC10H14N5O14P3
  • Average mass521.164 Da
  • Monoisotopic mass520.975037 Da
  • ChemSpider ID4589092

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl){[(2R)-1-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-oxo-2-propanyl]oxy}acetic acid [ACD/IUPAC Name]
(2R)-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl){[(2R)-1-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-oxo-2-propanyl]oxy}essigsäure [German] [ACD/IUPAC Name]
9H-Purine-9-acetic acid, 2-amino-α-[(1R)-1-formyl-2-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]ethoxy]-3,6-dihydro-6-oxo-, (αR)- [ACD/Index Name]
Acide (2R)-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl){[(2R)-1-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-oxo-2-propanyl]oxy}acétique [French] [ACD/IUPAC Name]
2-(Guanylformylmethoxy)-3-(triphospho)propanal
2',3'-Dialdehyde GTP
58045-02-6 [RN]
Dial GTP
GTP Dialdehyde
GTPox
More...

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1018.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.7±3.0 kJ/mol
Flash Point: 569.4±37.1 °C
Index of Refraction: 1.841
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.90
ACD/LogD (pH 5.5): -11.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 329 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 182.6±7.0 dyne/cm
Molar Volume: 209.0±7.0 cm3

Click to predict properties on the Chemicalize site


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