ChemSpider 2D Image | (4S)-4-Amino-5-{[1-(2-amino-4-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-5,8-dihydro-6-pteridinyl)-1-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-2-propanyl]oxy}-5-oxopentanoic acid | C24H34N8O12

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

  • Molecular FormulaC24H34N8O12
  • Average mass626.573 Da
  • Monoisotopic mass626.229614 Da
  • ChemSpider ID389223
  • 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}-5,8-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}-5,8-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}-5,8-dihydro-6-ptéridinyl)-1-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-2-propanyl]oxy}-5-oxopentanoïque [French] [ACD/IUPAC Name]
1-[2-amino-4-(L-glutam-1-yloxy)-5,8-dihydropteridin-6-yl]propane-1,2-diyl dihydrogen di-L-glutamate
tetrahydropteroyltri-L-glutamate

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

C04144 [DBID]
CHEBI:17420 [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: 998.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.6±3.0 kJ/mol
Flash Point: 557.7±37.1 °C
Index of Refraction: 1.612
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 416.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement