ChemSpider 2D Image | (4S)-4-Amino-5-{[1-(2-amino-4-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-5-methyl-5,8-dihydro-6-pteridinyl)-1-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-2-propanyl]oxy}-5-oxopentanoic acid | C25H36N8O12

(4S)-4-Amino-5-{[1-(2-amino-4-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-5-methyl-5,8-dihydro-6-pteridinyl)-1-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-2-propanyl]oxy}-5-oxopentanoic acid

  • Molecular FormulaC25H36N8O12
  • Average mass640.600 Da
  • Monoisotopic mass640.245239 Da
  • ChemSpider ID389321

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(4S)-4-Amino-5-{[1-(2-amino-4-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-5-methyl-5,8-dihydro-6-pteridinyl)-1-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-2-propanyl]oxy}-5-oxopentanoic acid [ACD/IUPAC Name]
(4S)-4-Amino-5-{[1-(2-amino-4-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-5-methyl-5,8-dihydro-6-pteridinyl)-1-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-2-propanyl]oxy}-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (4S)-4-amino-5-{[1-(2-amino-4-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-5-méthyl-5,8-dihydro-6-ptéridinyl)-1-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-2-propanyl]oxy}-5-oxopentanoïque (non-preferred nam e) [French] [ACD/IUPAC Name]
5-methyltetrahydropteroyltri-L-glutamate

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

C04489 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 987.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.8±3.0 kJ/mol
Flash Point: 550.8±37.1 °C
Index of Refraction: 1.611
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 80.6±3.0 dyne/cm
Molar Volume: 431.1±3.0 cm3

Click to predict properties on the Chemicalize site


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