ChemSpider 2D Image | (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name) | C37H63N17O9

(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name)

  • Molecular FormulaC37H63N17O9
  • Average mass890.005 Da
  • Monoisotopic mass889.499451 Da
  • ChemSpider ID24711954

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amid ( non-preferred name) [German] [ACD/IUPAC Name]
(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name) [ACD/IUPAC Name]
(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]-20,23-bis(3-carbamimidamidopropyl)-10-méthyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatétracosan-24-amide (non-preferred name) [French] [ACD/IUPAC Name]
(10r,20r,23r)-1-[(2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]-20,23-Bis(3-Carbamimidamidopropyl)-10-Methyl-1,8,11,18,21-Pentaoxo-2,9,12,19,22-Pentaazatetracosan-24-Amide
A03
ARC-1039
ARC-1039, 25
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL505949/

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 219.4±0.5 cm3
#H bond acceptors: 26
#H bond donors: 19
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -4.77
ACD/LogD (pH 5.5): -7.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 432 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 74.1±7.0 dyne/cm
Molar Volume: 562.4±7.0 cm3

Click to predict properties on the Chemicalize site


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