3'-脱磷酸辅酶A
TL;DR: 3'-脱磷酸辅酶A (CAS 3633-59-8) is a chemical compound with molecular formula C21H35N7O13P2S and molecular weight 687.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-脱磷酸辅酶A
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
Also Known As: Dephospho coa, dephospho-CoA, dephospho coenzyme a, dephosphocoenzyme A, 3?-Dephosphocoenzyme A
| Molecular Formula | C21H35N7O13P2S |
|---|---|
| Molecular Weight | 687.15 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 301.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Exact Mass | 687.14886 |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 3633-59-8 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C(C(=O)NCCC(=O)NCCS)O |
| InChIKey | KDTSHFARGAKYJN-UHFFFAOYSA-N |
Product Overview
3'-脱磷酸辅酶A (CAS 3633-59-8), with molecular formula C21H35N7O13P2S and molecular weight 687.15 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate.
Chemical Property Profile of 3'-脱磷酸辅酶A
Property Insights of 3'-脱磷酸辅酶A
The XLogP value of -4.7 indicates that 3'-脱磷酸辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 301.0 Ų indicates high polarity, suggesting 3'-脱磷酸辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-脱磷酸辅酶A has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-脱磷酸辅酶A?
The CAS number of 3'-脱磷酸辅酶A is 3633-59-8.
What is the molecular formula of 3'-脱磷酸辅酶A?
The molecular formula of 3'-脱磷酸辅酶A is C21H35N7O13P2S.
What is the molecular weight of 3'-脱磷酸辅酶A?
The molecular weight of 3'-脱磷酸辅酶A is 687.15 g/mol.
Where can I buy 3'-脱磷酸辅酶A?
You can request a quote for 3'-脱磷酸辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-脱磷酸辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 3'-脱磷酸辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.