5-hydroxyferuloyl-coenzyme A
TL;DR: 5-hydroxyferuloyl-coenzyme A (CAS 59862-14-5) is a chemical compound with molecular formula C31H44N7O20P3S and molecular weight 959.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate
Also Known As: 5-Hydroxyferuloyl coa, 5-Hydroxyferuloyl-coenzyme A, 5-Hydroxyferuloyl CoA; (Acyl-CoA); [M+H]+;, S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate, Coenzyme A, S-(3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoate)
| Molecular Formula | C31H44N7O20P3S |
|---|---|
| Molecular Weight | 959.16 g/mol |
| LogP | -0.2021 |
| Topological Polar Surface Area | 413.32 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Exact Mass | 959.1575 |
| Heavy Atoms | 62 |
| Complexity | 2277.3638 |
Chemical Identifiers
| CAS Number | 59862-14-5 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)O)O |
Product Overview
5-hydroxyferuloyl-coenzyme A (CAS 59862-14-5), with molecular formula C31H44N7O20P3S and molecular weight 959.16 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate.
Chemical Property Profile of 5-hydroxyferuloyl-coenzyme A
Property Insights of 5-hydroxyferuloyl-coenzyme A
The XLogP value of -0.2021 indicates that 5-hydroxyferuloyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 413.32 Ų indicates high polarity, suggesting 5-hydroxyferuloyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-hydroxyferuloyl-coenzyme A has 11 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-hydroxyferuloyl-coenzyme A?
The CAS number of 5-hydroxyferuloyl-coenzyme A is 59862-14-5.
What is the molecular formula of 5-hydroxyferuloyl-coenzyme A?
The molecular formula of 5-hydroxyferuloyl-coenzyme A is C31H44N7O20P3S.
What is the molecular weight of 5-hydroxyferuloyl-coenzyme A?
The molecular weight of 5-hydroxyferuloyl-coenzyme A is 959.16 g/mol.
Where can I buy 5-hydroxyferuloyl-coenzyme A?
You can request a quote for 5-hydroxyferuloyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-hydroxyferuloyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxyferuloyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.