ChemSpider 2D Image | 2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside | C15H25N5O21P4

2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-6-yl 5-O-phosphono-β-D-ribofuranoside

  • Molecular FormulaC15H25N5O21P4
  • Average mass735.275 Da
  • Monoisotopic mass734.999268 Da
  • ChemSpider ID25061233
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-6-yl 5-O-phosphono-β-D-ribofuranoside [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-6-yl-5-O-phosphono-β-D-ribofuranosid [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-Ribofuranosyl}-9h-Purin-6-Yl 5-O-Phosphono-β-D-Ribofuranoside
5-O-Phosphono-β-D-ribofuranoside de 2-amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-6-yle [French] [ACD/IUPAC Name]
β-D-Ribofuranoside, 2-amino-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-9H-purin-6-yl, 5-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1238.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.2±3.0 kJ/mol
Flash Point: 702.8±37.1 °C
Index of Refraction: 1.900
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 26
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.32
ACD/LogD (pH 5.5): -14.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 444 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 202.2±7.0 dyne/cm
Molar Volume: 269.9±7.0 cm3

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