dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo
TL;DR: dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo (CAS 80228-05-3) is a chemical compound with molecular formula C40H52N15O22P3 and molecular weight 1187.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Also Known As: Adenosine, thymidylyl-(3'->5')-2'-deoxy-6-O-methylguanylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxy-, [(2R,3S,5R)-5-(2-amino-6-methoxy-purin-9-yl)-2-[[hydroxy-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S)-5-(6-aminopurin-9-yl)-3, [(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate, N,N'-(3-(4-Chlorophenyl)-2-(methylimino)-4,5-thiazolidinediylidene)bis(trifluoromethylamine)
| Molecular Formula | C40H52N15O22P3 |
|---|---|
| Molecular Weight | 1187.26 g/mol |
| LogP | -6.7 |
| Topological Polar Surface Area | 501.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 21 |
| Exact Mass | 1187.2625 |
| Heavy Atoms | 80 |
| Complexity | 2550.0 |
Chemical Identifiers
| CAS Number | 80228-05-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C4N=C(N=C5OC)N)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=CC(=NC7=O)N)OP(=O)(O)OC[C@@H]8[C@H](CC(O8)N9C=NC1=C(N=CN=C19)N)O |
| InChIKey | XBGOYQTVPQMYFC-ZMVNDNELSA-N |
Product Overview
dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo (CAS 80228-05-3), with molecular formula C40H52N15O22P3 and molecular weight 1187.26 g/mol. IUPAC: [(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo
Property Insights of dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo
The XLogP value of -6.7 indicates that dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 501.0 Ų indicates high polarity, suggesting dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo has 9 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo?
The CAS number of dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo is 80228-05-3.
What is the molecular formula of dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo?
The molecular formula of dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo is C40H52N15O22P3.
What is the molecular weight of dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo?
The molecular weight of dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo is 1187.26 g/mol.
Where can I buy dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo?
You can request a quote for dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo?
Yes, KEHONG BIO provides custom synthesis services for dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.