Malonamoyl-CoA
TL;DR: Malonamoyl-CoA (CAS 1044516-55-3) is a chemical compound with molecular formula C24H39N8O18P3S and molecular weight 852.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-amino-3-oxopropanethioate
Also Known As: Malonamoyl-CoA, J2.762.505C, {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2-carbamoylacetyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid, Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(carbamoylacetylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester, S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-amino-3-oxopropanethioate
| Molecular Formula | C24H39N8O18P3S |
|---|---|
| Molecular Weight | 852.13 g/mol |
| LogP | -6.6 |
| Topological Polar Surface Area | 432.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Exact Mass | 852.1316 |
| Heavy Atoms | 54 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 1044516-55-3 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)N)O |
| InChIKey | KRWKKOAUSKOTIG-VFLPNFFSSA-N |
Product Overview
Malonamoyl-CoA (CAS 1044516-55-3), with molecular formula C24H39N8O18P3S and molecular weight 852.13 g/mol. IUPAC: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-amino-3-oxopropanethioate.
Chemical Property Profile of Malonamoyl-CoA
Property Insights of Malonamoyl-CoA
The XLogP value of -6.6 indicates that Malonamoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 432.0 Ų indicates high polarity, suggesting Malonamoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malonamoyl-CoA has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonamoyl-CoA?
The CAS number of Malonamoyl-CoA is 1044516-55-3.
What is the molecular formula of Malonamoyl-CoA?
The molecular formula of Malonamoyl-CoA is C24H39N8O18P3S.
What is the molecular weight of Malonamoyl-CoA?
The molecular weight of Malonamoyl-CoA is 852.13 g/mol.
Where can I buy Malonamoyl-CoA?
You can request a quote for Malonamoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonamoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for Malonamoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.