Home Sulfos 2-[(5-Fluoresceinyl)aminocarbonyl]ethyl Methanethiosulfonate

2-[(5-Fluoresceinyl)aminocarbonyl]ethyl Methanethiosulfonate

CAS No.:
887355-30-8
Catalog Number:
AG0088UF
Molecular Formula:
C24H19NO8S2
Molecular Weight:
513.5396
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Product Description
Catalog Number:
AG0088UF
Chemical Name:
2-[(5-Fluoresceinyl)aminocarbonyl]ethyl Methanethiosulfonate
CAS Number:
887355-30-8
Molecular Formula:
C24H19NO8S2
Molecular Weight:
513.5396
MDL Number:
MFCD01320402
IUPAC Name:
2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(3-methylsulfonylsulfanylpropanoylamino)benzoic acid
InChI:
InChI=1S/C24H19NO8S2/c1-35(31,32)34-9-8-22(28)25-13-2-5-16(19(10-13)24(29)30)23-17-6-3-14(26)11-20(17)33-21-12-15(27)4-7-18(21)23/h2-7,10-12,26H,8-9H2,1H3,(H,25,28)(H,29,30)
InChI Key:
SIGYPNVVBNLVNJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)C(=O)O)c1c2ccc(=O)cc2oc2c1ccc(c2)O)CCSS(=O)(=O)C
Properties
Complexity:
1090  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.055g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
513.535g/mol
Monoisotopic Mass:
513.055g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties