ChemSpider 2D Image | (2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-N-(6-{[(1r)-4-Carbamimidamido-1-{[(1r)-4-Carbamimidamido-1-Carbamoylbutyl]carbamoyl}butyl]amino}-6-Oxohexyl)-3,4-Dihydroxytetrahydrofuran-2-Carboxamide | C28H47N15O7

(2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-N-(6-{[(1r)-4-Carbamimidamido-1-{[(1r)-4-Carbamimidamido-1-Carbamoylbutyl]carbamoyl}butyl]amino}-6-Oxohexyl)-3,4-Dihydroxytetrahydrofuran-2-Carboxamide

  • Molecular FormulaC28H47N15O7
  • Average mass705.769 Da
  • Monoisotopic mass705.378296 Da
  • ChemSpider ID24688440

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-N-(6-{[(1r)-4-Carbamimidamido-1-{[(1r)-4-Carbamimidamido-1-Carbamoylbutyl]carbamoyl}butyl]amino}-6-Oxohexyl)-3,4-Dihydroxytetrahydrofuran-2-Carboxamide
(2S,3S,4R,5R)-N-(6-{[(2R)-1-{[(2R)-1-Amino-5-carbamimidamido-1-oxo-2-pentanyl]amino}-5-carbamimidamido-1-oxo-2-pentanyl]amino}-6-oxohexyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furancarb oxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-N-(6-{[(2R)-1-{[(2R)-1-Amino-5-carbamimidamido-1-oxo-2-pentanyl]amino}-5-carbamimidamido-1-oxo-2-pentanyl]amino}-6-oxohexyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furancarb oxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-N-(6-{[(2R)-1-{[(2R)-1-Amino-5-carbamimidamido-1-oxo-2-pentanyl]amino}-5-carbamimidamido-1-oxo-2-pentanyl]amino}-6-oxohexyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanecar boxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-N-(6-((R)-1-((R)-1-AMINO-5-GUANIDINO-1-OXOPENTAN-2-YLAMINO)-5-GUANIDINO-1-OXOPENTAN-2-YLAMINO)-6-OXOHEXYL)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE
ARC-1034
ARC-1034, 1
ARX
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450179/

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.756
Molar Refractivity: 170.3±0.5 cm3
#H bond acceptors: 22
#H bond donors: 17
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -4.41
ACD/LogD (pH 5.5): -7.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 374 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 84.3±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

Click to predict properties on the Chemicalize site


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