ChemSpider 2D Image | 9-(1-Butyryl-2-C-butyryl-2-O-butyryl-5-O-phosphonopentofuranosyl)-9H-purin-6-amine | C22H32N5O10P

9-(1-Butyryl-2-C-butyryl-2-O-butyryl-5-O-phosphonopentofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC22H32N5O10P
  • Average mass557.491 Da
  • Monoisotopic mass557.188660 Da
  • ChemSpider ID57511653

More details:

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

4,5-Nonodiulo-5,8-furanosyl, 5-(6-amino-9H-purin-9-yl)-1,2,3-trideoxy-6-C-(1-oxobutyl)-, 6-butanoate 9-(dihydrogen phosphate) [ACD/Index Name]
9-(1-Butyryl-2-C-butyryl-2-O-butyryl-5-O-phosphonopentofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(1-Butyryl-2-C-butyryl-2-O-butyryl-5-O-phosphonopentofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(1-Butyryl-2-C-butyryl-2-O-butyryl-5-O-phosphonopentofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
[5-(6-AMINOPURIN-9-YL)-4,5-DIBUTANOYL-4-(BUTANOYLOXY)-3-HYDROXYOXOLAN-2-YL]METHOXYPHOSPHONIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point: 812.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 444.9±37.1 °C
Index of Refraction: 1.654
Molar Refractivity: 128.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 5.14
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 70.1±7.0 dyne/cm
Molar Volume: 351.3±7.0 cm3

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