4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside
TL;DR: 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside (CAS 74141-15-4) is a chemical compound with molecular formula C13H16NO9PS and molecular weight 393.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)oxan-2-yl]methyl dihydrogen phosphate
Also Known As: 4-Itcppm, 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside, 4-Isothiocyanatophenyl 6-O-phosphonohexopyranoside, [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)oxan-2-yl]methyl dihydrogen phosphate, p-isothiocyanatophenyl 6-phospho-alpha-d-mannopyranoside
| Molecular Formula | C13H16NO9PS |
|---|---|
| Molecular Weight | 393.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.02835 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 74141-15-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O |
| InChIKey | JFSIORWKDATPCG-BNDIWNMDSA-N |
Product Overview
4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside (CAS 74141-15-4), with molecular formula C13H16NO9PS and molecular weight 393.03 g/mol. IUPAC: [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)oxan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside
Property Insights of 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside
The XLogP value of -0.6 indicates that 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside?
The CAS number of 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside is 74141-15-4.
What is the molecular formula of 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside?
The molecular formula of 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside is C13H16NO9PS.
What is the molecular weight of 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside?
The molecular weight of 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside is 393.03 g/mol.
Where can I buy 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside?
You can request a quote for 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiocyanatophenyl-6-phospho alpha-D-mannopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.