ChemSpider 2D Image | N-[(cis-4-{[2-(2-Imino-4-oxo-1,2,3,4-tetrahydro-6-pteridinyl)ethyl]amino}cyclohexyl)carbonyl]-L-glutamic acid | C20H27N7O6

N-[(cis-4-{[2-(2-Imino-4-oxo-1,2,3,4-tetrahydro-6-pteridinyl)ethyl]amino}cyclohexyl)carbonyl]-L-glutamic acid

  • Molecular FormulaC20H27N7O6
  • Average mass461.472 Da
  • Monoisotopic mass461.202271 Da
  • ChemSpider ID88297671

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide N-[(cis-4-{[2-(2-imino-4-oxo-1,2,3,4-tétrahydro-6-ptéridinyl)éthyl]amino}cyclohexyl)carbonyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[cis-4-[[2-(1,2,3,4-tetrahydro-2-imino-4-oxo-6-pteridinyl)ethyl]amino]cyclohexyl]carbonyl]- [ACD/Index Name]
N-[(cis-4-{[2-(2-Imino-4-oxo-1,2,3,4-tetrahydro-6-pteridinyl)ethyl]amino}cyclohexyl)carbonyl]-L-glutamic acid [ACD/IUPAC Name]
N-[(cis-4-{[2-(2-Imino-4-oxo-1,2,3,4-tetrahydro-6-pteridinyl)ethyl]amino}cyclohexyl)carbonyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
(2S)-2-[[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethylamino]cyclohexanecarbonyl]amino]pentanedioic acid
83704-88-5 [RN]
HH-Folic acid

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: 1.745
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -3.80
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 77.1±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

Click to predict properties on the Chemicalize site


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