ChemSpider 2D Image | (10r,20r,23r)-10-(4-Aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]-20,23-Bis(3-Carbamimidamidopropyl)-1,8,11,18,21-Pentaoxo-2,9,12,19,22-Pentaazatetracosan-24-Amide | C40H70N18O9

(10r,20r,23r)-10-(4-Aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]-20,23-Bis(3-Carbamimidamidopropyl)-1,8,11,18,21-Pentaoxo-2,9,12,19,22-Pentaazatetracosan-24-Amide

  • Molecular FormulaC40H70N18O9
  • Average mass947.099 Da
  • Monoisotopic mass946.557312 Da
  • ChemSpider ID24682999

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(10R,20R,23R)-10-(4-Aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-2 4-amid [German] [ACD/IUPAC Name]
(10R,20R,23R)-10-(4-Aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-2 4-amide [ACD/IUPAC Name]
(10R,20R,23R)-10-(4-Aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatétracosan-2 4-amide [French] [ACD/IUPAC Name]
(10r,20r,23r)-10-(4-Aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]-20,23-Bis(3-Carbamimidamidopropyl)-1,8,11,18,21-Pentaoxo-2,9,12,19,22-Pentaazatetracosan-24-Amide
A02
ARC-1012
ARC-1012, 15

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: 1.701
Molar Refractivity: 235.4±0.5 cm3
#H bond acceptors: 27
#H bond donors: 21
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: -5.13
ACD/LogD (pH 5.5): -9.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 458 Å2
Polarizability: 93.3±0.5 10-24cm3
Surface Tension: 73.6±7.0 dyne/cm
Molar Volume: 608.0±7.0 cm3

Click to predict properties on the Chemicalize site


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