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2-Deoxy-3-O-(9-phenylnonanoyl)-2-[3(S)-(9-phenylnonanoyloxy)tetradecanamido]-4-O-sulfo-D-glucopyranose monosodium salt

Catalog No. : NC24031

CAS No. : 152646-95-2

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Molecular Formula : C₅₀H₇₉NNaO₁₂S

Chemical Name : 2-Deoxy-3-O-(9-phenylnonanoyl)-2-[3(S)-(9-phenylnonanoyloxy)tetradecanamido]-4-O-sulfo-D-glucopyranose monosodium salt

Molecular Weight : 941.22

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Basic information

Standard English name
Cas No.	152646-95-2
Alias	2-Deoxy-3-O-(9-phenylnonanoyl)-2-[3(S)-(9-phenylnonanoyloxy)tetradecanamido]-4-O-sulfo-D-glucopyranose monosodium salt
Canonical Smiles	[Na].CCCCCCCCCCCC(CC(=O)NC(C=O)C(OC(=O)CCCCCCCCC1=CC=CC=C1)C(OS(O)(=O)=O)C(O)CO)OC(=O)CCCCCCCCC1=CC=CC=C1
MDL No.
Exact Mass	940.52207
Smiles	[Na].O=CC(NC(=O)CC(OC(=O)CCCCCCCCC=1C=CC=CC1)CCCCCCCCCCC)C(OC(=O)CCCCCCCCC=2C=CC=CC2)C(OS(=O)(=O)O)C(O)CO

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Inchi	InChI=1S/C50H79NO12S.Na/c1-2-3-4-5-6-7-8-15-26-35-43(61-47(56)36-27-16-11-9-13-20-29-41-31-22-18-23-32-41)38-46(55)51-44(39-52)49(50(45(54)40-53)63-64(58,59)60)62-48(57)37-28-17-12-10-14-21-30-42-33-24-19-25-34-42;/h18-19,22-25,31-34,39,43-45,49-50,53-54H,2-17,20-21,26-30,35-38,40H2,1H3,(H,51,55)(H,58,59,60);
InchiKey	QRSVBILLYSFVRA-UHFFFAOYSA-N
Remark