ChemSpider 2D Image | N-({5-[4-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]-2-thienyl}carbonyl)-L-glutamic acid | C20H23N5O6S

N-({5-[4-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]-2-thienyl}carbonyl)-L-glutamic acid

  • Molecular FormulaC20H23N5O6S
  • Average mass461.491 Da
  • Monoisotopic mass461.136902 Da
  • ChemSpider ID24645047

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-({5-[4-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]-2-thiényl}carbonyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[5-[4-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]-2-thienyl]carbonyl]- [ACD/Index Name]
N-({5-[4-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]-2-thienyl}carbonyl)-L-glutamic acid [ACD/IUPAC Name]
N-({5-[4-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]-2-thienyl}carbonyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-({5-[4-(2-Amino-4-Oxo-4,7-Dihydro-1h-Pyrrolo[2,3-D]pyrimidin-6-Yl)butyl]thiophen-2-Yl}carbonyl)-L-Glutamic Acid
(S)-2-(5-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl)thiophene-2-carboxamido)pentanedioic acid
1207641-02-8 [RN]
G71
L-Glutamic acid,N-[[5-[4-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]-2-thienyl]carbonyl]-
N-[[5-[4-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO-[2,3-D]PYRIMIDIN-6-YL)BUTYL]-2-THIENYL]CARBONYL]-L-GLUTAMIC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.742
Molar Refractivity: 114.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 75.2±7.0 dyne/cm
Molar Volume: 282.5±7.0 cm3

Click to predict properties on the Chemicalize site


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