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 697.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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, RefChem:101861
| Molecular Formula | C32H31N3O13S |
|---|---|
| Molecular Weight | 697.16 g/mol |
| LogP | -0.0557 |
| Topological Polar Surface Area | 264.44 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 697.1578 |
| Heavy Atoms | 49 |
| Complexity | 1799.1 |
Chemical Identifiers
| CAS Number | 118694-47-6 |
|---|---|
| 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 |
Product Overview
5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid (CAS 118694-47-6), with molecular formula C32H31N3O13S and molecular weight 697.16 g/mol. IUPAC: (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.
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 -0.0557 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 264.44 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 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 697.16 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetamido-9-(3-fluoresceinylthioureido)-3,5,9-trideoxy-2-nonulosonsonic acid?
Yes, KEHONG BIO 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.