羟甲基戊二酸单酰辅酶A
TL;DR: 羟甲基戊二酸单酰辅酶A (CAS 1553-55-5) is a chemical compound with molecular formula C27H44N7O20P3S and molecular weight 911.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟甲基戊二酸单酰辅酶A
5-[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]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid
Also Known As: HMG-CoA, 3-Hydroxy-3-methylglutaryl CoA, 3-Hydroxy-3-methylglutaryl-CoA, Hydroxymethylglutaroyl coenzyme A, 3-hydroxy-3-methylglutaryl-coenzyme A
| Molecular Formula | C27H44N7O20P3S |
|---|---|
| Molecular Weight | 911.16 g/mol |
| LogP | -6.6 |
| Topological Polar Surface Area | 446.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Exact Mass | 911.1575 |
| Heavy Atoms | 58 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 1553-55-5 |
|---|---|
| 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)CC(C)(CC(=O)O)O)O |
| InChIKey | CABVTRNMFUVUDM-UHFFFAOYSA-N |
Product Overview
羟甲基戊二酸单酰辅酶A (CAS 1553-55-5), with molecular formula C27H44N7O20P3S and molecular weight 911.16 g/mol. IUPAC: 5-[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]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid.
Chemical Property Profile of 羟甲基戊二酸单酰辅酶A
Property Insights of 羟甲基戊二酸单酰辅酶A
The XLogP value of -6.6 indicates that 羟甲基戊二酸单酰辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.0 Ų indicates high polarity, suggesting 羟甲基戊二酸单酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 羟甲基戊二酸单酰辅酶A has 11 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 羟甲基戊二酸单酰辅酶A?
The CAS number of 羟甲基戊二酸单酰辅酶A is 1553-55-5.
What is the molecular formula of 羟甲基戊二酸单酰辅酶A?
The molecular formula of 羟甲基戊二酸单酰辅酶A is C27H44N7O20P3S.
What is the molecular weight of 羟甲基戊二酸单酰辅酶A?
The molecular weight of 羟甲基戊二酸单酰辅酶A is 911.16 g/mol.
Where can I buy 羟甲基戊二酸单酰辅酶A?
You can request a quote for 羟甲基戊二酸单酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟甲基戊二酸单酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 羟甲基戊二酸单酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.