N-(5-{[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbamothioyl]amino}pentyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanamide

Base Information

• Chemical Name: N-(5-{[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbamothioyl]amino}pentyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanamide
• CAS No.: 134759-22-1
• Molecular Formula: C42H50N6O8S2
• Molecular Weight: 831.01
• DSSTox Substance ID: DTXSID50585094
• Wikidata: Q82476903
• Mol file: 134759-22-1.mol

Synonyms:6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[5-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]pentyl]hexanamide;DTXSID50585094;N-(5-{[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbamothioyl]amino}pentyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanamide

Chemical Property of N-(5-{[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbamothioyl]amino}pentyl)-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanamide

Chemical Property:

• Appearance/Colour: Yellow solid
• Refractive Index: 1.699
• PSA: 256.77000
• Density: 1.43 g/cm³
• LogP: 7.54440
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 18
• Exact Mass: 830.31315492
• Heavy Atom Count: 58
• Complexity: 1430

Purity/Quality:

99% ^*data from raw suppliers

FluoresceinBiotin(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCCCCNC(=S)NC3=CC4=C(C=C3)C(=O)OC45C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)NC(=O)N2
• Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCNC(=S)NC3=CC4=C(C=C3)C(=O)OC45C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)NC(=O)N2
• Uses: Biotinylated Fluorescent probe for measuring the concentration of avidin or streptavidin. Fluorescein Biotin (cas# 134759-22-1) is a compound useful in organic synthesis.