ChemSpider 2D Image | 9-(2,3-O-{4-[(6-Aminohexyl)amino]-1-methyl-4-oxobutylidene}-5-O-phosphono-beta-D-glycero-pentofuranosyl)-3,9-dihydro-6H-purin-6-one | C21H33N6O9P

9-(2,3-O-{4-[(6-Aminohexyl)amino]-1-methyl-4-oxobutylidene}-5-O-phosphono-β-D-glycero-pentofuranosyl)-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC21H33N6O9P
  • Average mass544.495 Da
  • Monoisotopic mass544.204651 Da
  • ChemSpider ID168890

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

6H-Purin-6-one, 9-[2,3-O-[4-[(6-aminohexyl)amino]-1-methyl-4-oxobutylidene]-5-O-phosphono-β-D-glycero-pentofuranosyl]-3,9-dihydro- [ACD/Index Name]
9-(2,3-O-{4-[(6-Aminohexyl)amino]-1-methyl-4-oxobutyliden}-5-O-phosphono-β-D-glycero-pentofuranosyl)-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-(2,3-O-{4-[(6-Aminohexyl)amino]-1-methyl-4-oxobutylidene}-5-O-phosphono-β-D-glycero-pentofuranosyl)-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-(2,3-O-{4-[(6-Aminohexyl)amino]-1-méthyl-4-oxobutylidène}-5-O-phosphono-β-D-glycéro-pentofuranosyl)-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
5'-Inosinic acid, 2',3'-O-(4-((6-aminohexyl)amino)-1-methyl-4-oxobutylidene)-
75204-35-2 [RN]
Ahxlvimp
Inosine 2',3'-O-(1-(6-aminohexyl)levulinic acid amide)acetal 5'-monophosphate

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: 1.705
Molar Refractivity: 124.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -3.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 78.2±7.0 dyne/cm
Molar Volume: 319.8±7.0 cm3

Click to predict properties on the Chemicalize site


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