ChemSpider 2D Image | 2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one | C10H18N5O20P5

2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H18N5O20P5
  • Average mass683.140 Da
  • Monoisotopic mass682.923340 Da
  • ChemSpider ID713

More details:

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

2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-3,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-3-O-[hydroxy(phosphonooxy)phosphinyl]pentofuranosyl]- [ACD/Index Name]
GDP-TP
guanosine 3'-diphosphate 5'-triphosphate
guanosine 5'-triphosphate,3'-diphosphate
pppGpp

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

Density: 2.9±0.1 g/cm3
Boiling Point: 1192.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 185.2±3.0 kJ/mol
Flash Point: 675.1±37.1 °C
Index of Refraction: 1.930
Molar Refractivity: 110.6±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -7.46
ACD/LogD (pH 5.5): -16.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -17.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 437 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 259.9±7.0 dyne/cm
Molar Volume: 232.2±7.0 cm3

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