ChemSpider 2D Image | adafosbuvir | C22H29FN3O10P

adafosbuvir

  • Molecular FormulaC22H29FN3O10P
  • Average mass545.452 Da
  • Monoisotopic mass545.157471 Da
  • ChemSpider ID64835243
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S)-2-{[(S)-{[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-fluoro-3,4-dihydroxy-4-méthyltétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate d'isopropyle (non-preferred na me) [French] [ACD/IUPAC Name]
10502
1613589-09-5 [RN]
adafosbuvir [INN] [USAN]
adafosbuvir [French] [INN]
adafosbuvir [Spanish] [INN]
adafosbuvirum [Latin] [INN]
Isopropyl (2S)-2-{[(S)-{[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-fluoro-3,4-dihydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) [ACD/IUPAC Name]
Isopropyl-(2S)-2-{[(S)-{[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-fluor-3,4-dihydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat (non-preferred name) [German] [ACD/IUPAC Name]
S83770Y75R
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.19
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 68.33
Polar Surface Area: 183 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 371.6±5.0 cm3

Click to predict properties on the Chemicalize site






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