ChemSpider 2D Image | N-{4-[{[(2R,4S,4aR,6S,8aS)-2-Amino-4-hydroxydecahydro-6-pteridinyl]methyl}(formyl)amino]benzoyl}-D-glutamic acid | C20H29N7O7

N-{4-[{[(2R,4S,4aR,6S,8aS)-2-Amino-4-hydroxydecahydro-6-pteridinyl]methyl}(formyl)amino]benzoyl}-D-glutamic acid

  • Molecular FormulaC20H29N7O7
  • Average mass479.487 Da
  • Monoisotopic mass479.212860 Da
  • ChemSpider ID25057378

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Acide N-{4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydécahydro-6-ptéridinyl]méthyl}(formyl)amino]benzoyl}-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[[(2R,4S,4aR,6S,8aS)-2-aminodecahydro-4-hydroxy-6-pteridinyl]methyl]formylamino]benzoyl]- [ACD/Index Name]
N-({4-[{[(2r,4s,4ar,6s,8as)-2-Amino-4-Hydroxydecahydropteridin-6-Yl]methyl}(Formyl)amino]phenyl}carbonyl)-D-Glutamic Acid
N-{4-[{[(2R,4S,4aR,6S,8aS)-2-Amino-4-hydroxydecahydro-6-pteridinyl]methyl}(formyl)amino]benzoyl}-D-glutamic acid [ACD/IUPAC Name]
N-{4-[{[(2R,4S,4aR,6S,8aS)-2-Amino-4-hydroxydecahydro-6-pteridinyl]methyl}(formyl)amino]benzoyl}-D-glutaminsäure [German] [ACD/IUPAC Name]
10F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 893.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.0±3.0 kJ/mol
Flash Point: 494.0±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -5.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 343.9±3.0 cm3

Click to predict properties on the Chemicalize site


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