ChemSpider 2D Image | 6-(6-Amino-9H-purin-9-yl)-2-[(4,5-dimethoxy-2-nitrobenzyl)oxy]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide | C19H21N6O10P

6-(6-Amino-9H-purin-9-yl)-2-[(4,5-dimethoxy-2-nitrobenzyl)oxy]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide

  • Molecular FormulaC19H21N6O10P
  • Average mass524.378 Da
  • Monoisotopic mass524.105652 Da
  • ChemSpider ID28554747

More details:






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

2-Oxyde de 6-(6-amino-9H-purin-9-yl)-2-[(4,5-diméthoxy-2-nitrobenzyl)oxy]tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol [French] [ACD/IUPAC Name]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-9H-purin-9-yl)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy]tetrahydro-, 2-oxide [ACD/Index Name]
6-(6-Amino-9H-purin-9-yl)-2-[(4,5-dimethoxy-2-nitrobenzyl)oxy]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide [ACD/IUPAC Name]
6-(6-Amino-9H-purin-9-yl)-2-[(4,5-dimethoxy-2-nitrobenzyl)oxy]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol-2-oxid [German] [ACD/IUPAC Name]
98102-61-5 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 815.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 447.1±37.1 °C
Index of Refraction: 1.774
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 66.71
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.57
ACD/KOC (pH 7.4): 68.39
Polar Surface Area: 218 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 89.0±7.0 dyne/cm
Molar Volume: 274.7±7.0 cm3

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