ChemSpider 2D Image | 2-[({4-[(2,4-Diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioic acid | C22H24N8O5S

2-[({4-[(2,4-Diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioic acid

  • Molecular FormulaC22H24N8O5S
  • Average mass512.542 Da
  • Monoisotopic mass512.159058 Da
  • ChemSpider ID19534265

More details:

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

2-[({4-[(2,4-Diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexandisäure [German] [ACD/IUPAC Name]
2-[({4-[(2,4-Diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioic acid [ACD/IUPAC Name]
Acide 2-[({4-[(2,4-diamino-6-ptéridinyl)méthyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioïque [French] [ACD/IUPAC Name]
Hexanedioic acid, 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl]carbonyl]amino]- [ACD/Index Name]
2-[({4-[(2,4-diaminopteridin-6-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl}carbonyl)amino]hexanedioic acid
2-{[4-(2,4-Diamino-pteridin-6-ylmethyl)-3,4-dihydro-2H-benzo[1,4]thiazine-7-carbonyl]-amino}-hexanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273608/

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.744
Molar Refractivity: 133.3±0.3 cm3
#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: 236 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 100.6±3.0 dyne/cm
Molar Volume: 329.2±3.0 cm3

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