ChemSpider 2D Image | I-Abopx | C23H22IN5O5

I-Abopx

  • Molecular FormulaC23H22IN5O5
  • Average mass575.356 Da
  • Monoisotopic mass575.066528 Da
  • ChemSpider ID143736

More details:

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

{4-[3-(4-Amino-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-Amino-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-amino-3-iodophenyl)methyl]-2,3,6,7-tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl]phenoxy]- [ACD/Index Name]
Acide {4-[3-(4-amino-3-iodobenzyl)-2,6-dioxo-1-propyl-2,3,6,7-tétrahydro-1H-purin-8-yl]phénoxy}acétique [French] [ACD/IUPAC Name]
I-Abopx
{4-[3-(4-Amino-3-iodo-benzyl)-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl]-phenoxy}-acetic acid
{4-[3-(4-Amino-3-iodo-benzyl)-2,6-dioxo-1-propyl-2,3,6,9-tetrahydro-1H-purin-8-yl]-phenoxy}-acetic acid
112533-64-9 [RN]
12626-17-4 [RN]
2-(4-(3-(4-Amino-3-iodobenzyl)-2,6-dioxo-1-propyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy)acetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 804.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.1±37.1 °C
Index of Refraction: 1.700
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 9.05
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 340.1±3.0 cm3

Click to predict properties on the Chemicalize site


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