Home > Product Catalog > All > 3-[[N-sulfonatooxy-C-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymeth yl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]indole-1-sulfonate

3-[[N-sulfonatooxy-C-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymeth yl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]indole-1-sulfonate

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Catalog No. : NC27089

CAS No. : 29702-28-1

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Molecular Formula : C₁₆H₂₀N₂O₁₂S₃

Chemical Name : 3-[[N-sulfonatooxy-C-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymeth yl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]indole-1-sulfonate

Molecular Weight : 528.53

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Basic information

Standard English name
Cas No.	29702-28-1
Alias	3-[[N-sulfonatooxy-C-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymeth yl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]indole-1-sulfonate
Canonical Smiles	OCC1OC(SC(CC2=CN(C3C=CC=CC=32)S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O
MDL No.
Exact Mass	528.01784
Smiles	O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CN(C=3C=CC=CC32)S(=O)(=O)O

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Inchi	InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)
InchiKey	JZFQZINWXSEVSO-UHFFFAOYSA-N
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