ChemSpider 2D Image | 2-[({4-[(2,4-Diaminopteridin-3-ium-6-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioate | C22H23N8O5S

2-[({4-[(2,4-Diaminopteridin-3-ium-6-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioate

  • Molecular FormulaC22H23N8O5S
  • Average mass511.534 Da
  • Monoisotopic mass511.151764 Da
  • ChemSpider ID21210563

  • Charge - Charge

More details:

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

2-[({4-[(2,4-Diaminopteridin-3-ium-6-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexandioat [German] [ACD/IUPAC Name]
2-[({4-[(2,4-Diaminopteridin-3-ium-6-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioate [ACD/IUPAC Name]
2-[({4-[(2,4-Diaminoptéridin-3-ium-6-yl)méthyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioate [French] [ACD/IUPAC Name]
Pteridinium, 2,4-diamino-6-[[7-[[(1,4-dicarboxybutyl)amino]carbonyl]-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methyl]-, inner salt, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability:
Surface Tension:
Molar Volume:

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