ChemSpider 2D Image | [1,3-Dimethyl-2,6-dioxo-8-(1-pyrrolidinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid | C13H17N5O4

[1,3-Dimethyl-2,6-dioxo-8-(1-pyrrolidinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid

  • Molecular FormulaC13H17N5O4
  • Average mass307.305 Da
  • Monoisotopic mass307.128052 Da
  • ChemSpider ID21929739

More details:

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

[1,3-Dimethyl-2,6-dioxo-8-(1-pyrrolidinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid [ACD/IUPAC Name]
[1,3-Dimethyl-2,6-dioxo-8-(1-pyrrolidinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]essigsäure [German] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-pyrrolidinyl)- [ACD/Index Name]
Acide [1,3-diméthyl-2,6-dioxo-8-(1-pyrrolidinyl)-1,2,3,6-tétrahydro-7H-purin-7-yl]acétique [French] [ACD/IUPAC Name]
1021125-84-7 [RN]
2-(1,3-dimethyl-2,6-dioxo-8-(pyrrolidin-1-yl)-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
2-[1,3-dimethyl-2,6-dioxo-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 576.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.6±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 76.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 191.7±7.0 cm3

Click to predict properties on the Chemicalize site


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