ChemSpider 2D Image | Terrelumamide A | C20H20N6O7

Terrelumamide A

  • Molecular FormulaC20H20N6O7
  • Average mass456.409 Da
  • Monoisotopic mass456.139343 Da
  • ChemSpider ID35516822

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1802497-05-7 [RN]
2-({N-[(1-Méthyl-2,4-dioxo-1,2,3,4-tétrahydro-6-ptéridinyl)carbonyl]-L-thréonyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2S,3R)-3-hydroxy-1-oxo-2-[[(1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-6-pteridinyl)carbonyl]amino]butyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({N-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-threonyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-({N-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinyl)carbonyl]-L-threonyl}amino)benzoat [German] [ACD/IUPAC Name]
Terrelumamide A
2-[[(2S,3R)-3-hydroxy-1-oxo-2-[[(1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-6-pteridinyl)carbonyl]amino]butyl]amino]-benzoic acid, methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4474465/
Terrelulamide A

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.03
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.28
Polar Surface Area: 180 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

Click to predict properties on the Chemicalize site


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