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Search term: WLOCZCUDOIHJPJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {4-[3-(4-Azido-3-iodobenzyl)-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]phenoxy}acetic acid | C23H20IN7O5

{4-[3-(4-Azido-3-iodobenzyl)-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]phenoxy}acetic acid

  • Molecular FormulaC23H20IN7O5
  • Average mass601.353 Da
  • Monoisotopic mass601.057068 Da
  • ChemSpider ID23234261

More details:

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

{4-[3-(4-Azido-3-iodbenzyl)-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
{4-[3-(4-Azido-3-iodobenzyl)-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]phenoxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-[3-[(4-azido-3-iodophenyl)methyl]-2,3,6,9-tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl]phenoxy]- [ACD/Index Name]
Acide {4-[3-(4-azido-3-iodobenzyl)-2,6-dioxo-1-propyl-2,3,6,7-tétrahydro-1H-purin-8-yl]phénoxy}acétique [French] [ACD/IUPAC Name]
{4-[3-(4-Azido-3-iodo-benzyl)-2,6-dioxo-1-propyl-2,3,6,9-tetrahydro-1H-purin-8-yl]-phenoxy}-acetic acid

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 18.71
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

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