Found 6 results

Search term: MF = 'C_{49}H_{58}N_{8}O_{6}'
ChemSpider 2D Image | (2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[2-(4-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoyl]amino}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non- preferred name) | C49H58N8O6

(2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[2-(4-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoyl]amino}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non- preferred name)

  • Molecular FormulaC49H58N8O6
  • Average mass855.035 Da
  • Monoisotopic mass854.447937 Da
  • ChemSpider ID28508215

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[2-(4-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoyl]amino}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid (non-p referred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[2-(4-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoyl]amino}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non- preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-[(2,2-Diphényléthyl)amino]-2-{[2-(4-{[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)benzoyl]amino}phényl)éthyl]amino}-9H-purin-9-yl)-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide (non -preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 241.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 7.82
ACD/BCF (pH 5.5): 512908.16
ACD/KOC (pH 5.5): 418521.66
ACD/LogD (pH 7.4): 7.84
ACD/BCF (pH 7.4): 535692.06
ACD/KOC (pH 7.4): 437112.81
Polar Surface Area: 196 Å2
Polarizability: 95.7±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 660.3±7.0 cm3

Click to predict properties on the Chemicalize site


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