6-Mercapto-fad
TL;DR: 6-Mercapto-fad (CAS 101760-90-1) is a chemical compound with molecular formula C27H33N9O15P2S and molecular weight 817.1292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4-dioxo-6-sulfanylidene-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Also Known As: 6-Mercapto-fad, 6-SH-Fad, Riboflavin 5'-(trihydrogen diphosphate), 6-mercapto-, P'-5'-ester with adenosine, [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4-dioxo-6-sulfanylidene-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate, Riboflavin, 5'-(trihydrogen diphosphate), 6-mercapto-, 5'-5'-ester with adenosine
Technical Specifications
| Molecular Formula | C27H33N9O15P2S |
| Molecular Weight | 817.1292 g/mol |
| XLogP | -5.8 |
| Topological Polar Surface Area (TPSA) | 388.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 817.1292 Da |
| Heavy Atoms | 54 |
| Complexity | 1800.0 |
| SMILES | CC1=C(C(=S)C2=NC3=C(NC(=O)NC3=O)N(C2=C1)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O)C |
| InChIKey | ZPSYGSQNTFULQY-UHFFFAOYSA-N |
Product Description
Applications: 6-Mercapto-fad is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
6-Mercapto-fad is a fine chemical identified by CAS number 101760-90-1 and the molecular formula C27H33N9O15P2S and a molecular weight of 817.13 g/mol. Synonyms include 6-Mercapto-fad and 6-SH-Fad.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 6-Mercapto-fad
Property Insights of 6-Mercapto-fad
The XLogP value of -5.8 indicates that 6-Mercapto-fad is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 388.0 Ų indicates high polarity, suggesting 6-Mercapto-fad may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Mercapto-fad has 10 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Mercapto-fad?
The CAS number of 6-Mercapto-fad is 101760-90-1.
What is the molecular formula of 6-Mercapto-fad?
The molecular formula of 6-Mercapto-fad is C27H33N9O15P2S.
What is the molecular weight of 6-Mercapto-fad?
The molecular weight of 6-Mercapto-fad is 817.1292 g/mol.
What are the applications of 6-Mercapto-fad?
6-Mercapto-fad is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy 6-Mercapto-fad?
You can request a quote for 6-Mercapto-fad directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Mercapto-fad?
Yes, CoreyChem provides custom synthesis services for 6-Mercapto-fad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.