N6-Threonylcarbamoyladenosine
TL;DR: N6-Threonylcarbamoyladenosine (CAS 28882-41-9) is a chemical compound with molecular formula C15H20N6O8 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid
Also Known As: N6-Threonylcarbamoyladenosine, Acaptma, t(6)a, starbld0012987, N6-Carbamoyl-L-threonyladenosine
| Molecular Formula | C15H20N6O8 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.13425 |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 28882-41-9 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | UNUYMBPXEFMLNW-DWVDDHQFSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N6-Threonylcarbamoyladenosine (CAS 28882-41-9), with molecular formula C15H20N6O8 and molecular weight 412.13 g/mol. IUPAC: (2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid.
Chemical Property Profile of N6-Threonylcarbamoyladenosine
Property Insights of N6-Threonylcarbamoyladenosine
The XLogP value of -2.6 indicates that N6-Threonylcarbamoyladenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.0 Ų indicates high polarity, suggesting N6-Threonylcarbamoyladenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N6-Threonylcarbamoyladenosine has 7 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 N6-Threonylcarbamoyladenosine?
The CAS number of N6-Threonylcarbamoyladenosine is 28882-41-9.
What is the molecular formula of N6-Threonylcarbamoyladenosine?
The molecular formula of N6-Threonylcarbamoyladenosine is C15H20N6O8.
What is the molecular weight of N6-Threonylcarbamoyladenosine?
The molecular weight of N6-Threonylcarbamoyladenosine is 412.13 g/mol.
Where can I buy N6-Threonylcarbamoyladenosine?
You can request a quote for N6-Threonylcarbamoyladenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N6-Threonylcarbamoyladenosine?
Yes, KEHONG BIO provides custom synthesis services for N6-Threonylcarbamoyladenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.