5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid
TL;DR: 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid (CAS 118694-47-6) is a chemical compound with molecular formula C32H31N3O13S and molecular weight 697.1578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,5R,6R,7R,8R)-5-acetamido-9-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]-4,6,7,8-tetrahydroxy-2-oxononanoic acid
Also Known As: 3-Fluoresceinyl-neuac, 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid, (4S,5R,6R,7R,8R)-5-acetamido-9-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]-4,6,7,8-tetrahydroxy-2-oxononanoic acid, 5-Acetamido-3,5,9-trideoxy-9-{[(3',6'-dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]amino}-D-glycero-D-galacto-non-2-ulosonic acid
Technical Specifications
| Molecular Formula | C32H31N3O13S |
| Molecular Weight | 697.1578 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 297.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 697.1578 Da |
| Heavy Atoms | 49 |
| Complexity | 1250.0 |
| SMILES | CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CNC(=S)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)O)O)O |
| InChIKey | GDIQTXRCPOSDOR-VXFCOHMTSA-N |
Chemical Property Profile of 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid
Property Insights of 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid
The XLogP value of -0.7 indicates that 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.0 Ų indicates high polarity, suggesting 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid?
The CAS number of 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid is 118694-47-6.
What is the molecular formula of 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid?
The molecular formula of 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid is C32H31N3O13S.
What is the molecular weight of 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid?
The molecular weight of 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid is 697.1578 g/mol.
Where can I buy 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid?
You can request a quote for 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid?
Yes, CoreyChem provides custom synthesis services for 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.