ChemSpider 2D Image | Isopropyl (2S)-2-{[{[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-3-(isobutyryloxy)-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-prefe rred name) | C29H37N6O9P

Isopropyl (2S)-2-{[{[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-3-(isobutyryloxy)-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-prefe rred name)

  • Molecular FormulaC29H37N6O9P
  • Average mass644.613 Da
  • Monoisotopic mass644.235962 Da
  • ChemSpider ID31141332

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-2-{[{[(2R,3R,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-3-(isobutyryloxy)-4-méthyltétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate d'isopropyle (non-pr eferred name) [French] [ACD/IUPAC Name]
Isopropyl (2S)-2-{[{[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-3-(isobutyryloxy)-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-prefe rred name) [ACD/IUPAC Name]
Isopropyl-(2S)-2-{[{[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyan-4-hydroxy-3-(isobutyryloxy)-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat (non-preferr ed name) [German] [ACD/IUPAC Name]
[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-4-methyl-2-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-3-yl] 2-methylpropanoate
1350735-70-4 [RN]
CID 58059494
GS-6620
Unii-WD5dug7X38

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 160.1±0.5 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.34
ACD/KOC (pH 5.5): 170.49
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.67
ACD/KOC (pH 7.4): 176.56
Polar Surface Area: 219 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 450.3±7.0 cm3

Click to predict properties on the Chemicalize site


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