ChemSpider 2D Image | Pentaglutamyl folate | C39H47N11O18

Pentaglutamyl folate

  • Molecular FormulaC39H47N11O18
  • Average mass957.853 Da
  • Monoisotopic mass957.310059 Da
  • ChemSpider ID66096

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Pentaglutamyl folate
33611-85-7 [RN]
Acide N-(4-{[(2-amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl]amino}benzoyl)-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-glutamique [French] [ACD/IUPAC Name]
Folic acid tetraglutamate
L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl- [ACD/Index Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-glutaminsäure [German] [ACD/IUPAC Name]
(2S)-2-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]p
(2S)-2-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
(2S)-2-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4-{[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS010930 [DBID]
AIDS-010930 [DBID]
EPA Pesticide Chemical Code 079011 [DBID]
NSC 372667 [DBID]
NSC372667 [DBID]

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: 1.714
Molar Refractivity: 222.4±0.5 cm3
#H bond acceptors: 29
#H bond donors: 15
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -6.71
ACD/LogD (pH 5.5): -13.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 475 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 81.5±7.0 dyne/cm
Molar Volume: 566.6±7.0 cm3

Click to predict properties on the Chemicalize site


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