ChemSpider 2D Image | 2,2-Dimethylpropyl (2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-3,4-dihydroxy-4-methyltetrahydro-2-furanyl]methoxy}(1-naphthyloxy)phosphoryl]amino}propanoate | C30H39N6O9P

2,2-Dimethylpropyl (2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-3,4-dihydroxy-4-methyltetrahydro-2-furanyl]methoxy}(1-naphthyloxy)phosphoryl]amino}propanoate

  • Molecular FormulaC30H39N6O9P
  • Average mass658.639 Da
  • Monoisotopic mass658.251587 Da
  • ChemSpider ID25068657

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2-Amino-6-méthoxy-9H-purin-9-yl)-3,4-dihydroxy-4-méthyltétrahydro-2-furanyl]méthoxy}(1-naphtyloxy)phosphoryl]amino}propanoate de 2,2-diméthylpropyle (non-preferred name ) [French] [ACD/IUPAC Name]
2,2-Dimethylpropyl (2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-3,4-dihydroxy-4-methyltetrahydro-2-furanyl]methoxy}(1-naphthyloxy)phosphoryl]amino}propanoate [ACD/IUPAC Name]
2,2-Dimethylpropyl-(2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-3,4-dihydroxy-4-methyltetrahydro-2-furanyl]methoxy}(1-naphthyloxy)phosphoryl]amino}propanoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 848.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 467.1±37.1 °C
Index of Refraction: 1.654
Molar Refractivity: 163.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 255.80
ACD/KOC (pH 5.5): 1839.30
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 256.90
ACD/KOC (pH 7.4): 1847.16
Polar Surface Area: 212 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 445.7±7.0 cm3

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