ChemSpider 2D Image | N-[4-({[(6S)-4-Hydroxy-2-imino-5-methyl(7-~3~H_1_)-1,2,5,6,7,8-hexahydro-6-pteridinyl](~3~H_1_)methyl}amino)benzoyl]-L-glutamic acid | C20H23T2N7O6

N-[4-({[(6S)-4-Hydroxy-2-imino-5-methyl(7-3H1)-1,2,5,6,7,8-hexahydro-6-pteridinyl](3H1)methyl}amino)benzoyl]-L-glutamic acid

  • Molecular FormulaC20H23T2N7O6
  • Average mass463.472 Da
  • Monoisotopic mass463.203094 Da
  • ChemSpider ID57268758

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acide N-[4-({[(6S)-4-hydroxy-2-imino-5-méthyl(7-3H1)-1,2,5,6,7,8-hexahydro-6-ptéridinyl](3H1)méthyl}amino)benzoyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[(6S)-1,2,5,6,7,8-hexahydro-4-hydroxy-2-imino-5-methyl-6-pteridinyl-7-t]methyl-t]amino]benzoyl]- [ACD/Index Name]
N-[4-({[(6S)-4-Hydroxy-2-imino-5-methyl(7-3H1)-1,2,5,6,7,8-hexahydro-6-pteridinyl](3H1)methyl}amino)benzoyl]-L-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6S)-4-Hydroxy-2-imino-5-methyl(7-3H1)-1,2,5,6,7,8-hexahydro-6-pteridinyl](3H1)methyl}amino)benzoyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
(6S)-5-METHYLTETRAHYDROFOLIC ACID[3',5',7,9-3H]

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: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.75
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability:
Surface Tension:
Molar Volume:

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