1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate
TL;DR: 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate (CAS 73095-00-8) is a chemical compound with molecular formula C13H18N5O8P and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid
Also Known As: 1-Cedam, 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate, 1- deoxyadenosine5'-monophosphate, 3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid, 1-(2-Carboxyethyl)-2'-deoxyadenosine 5'-(dihydrogen phosphate)
| Molecular Formula | C13H18N5O8P |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.0893 |
| Heavy Atoms | 27 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 73095-00-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN(C3=N)CCC(=O)O)COP(=O)(O)O)O |
| InChIKey | MRAOIJOEQRNBPX-DJLDLDEBSA-N |
Product Overview
1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate (CAS 73095-00-8), with molecular formula C13H18N5O8P and molecular weight 403.09 g/mol. IUPAC: 3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid.
Chemical Property Profile of 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate
Property Insights of 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate
The XLogP value of -3.0 indicates that 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate?
The CAS number of 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate is 73095-00-8.
What is the molecular formula of 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate?
The molecular formula of 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate is C13H18N5O8P.
What is the molecular weight of 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate?
The molecular weight of 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate is 403.09 g/mol.
Where can I buy 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate?
You can request a quote for 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.