Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)
TL;DR: Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) (CAS 115991-79-2) is a chemical compound with molecular formula C11H17N5O9P2 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Also Known As: Methylene-Az-ddTDP, Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate), 3'-Azido-3'-deoxy-5'-thymidinealpha,beta-methylenediophosphate, 3'-Azido-3'-deoxy-5'-thymidine.alpha.,.beta.-methylenediophosphate, 3'-Azido-3'-deoxy-5'-O-[hydroxy(phosphonomethyl)phosphoryl]thymidine
| Molecular Formula | C11H17N5O9P2 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.05014 |
| Heavy Atoms | 27 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 115991-79-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(O)O)O)N=[N+]=[N-] |
| InChIKey | DNHWKXJFBOJNEC-DJLDLDEBSA-N |
Product Overview
Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) (CAS 115991-79-2), with molecular formula C11H17N5O9P2 and molecular weight 425.05 g/mol. IUPAC: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid.
Chemical Property Profile of Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)
Property Insights of Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)
The XLogP value of -2.3 indicates that Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) has 4 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 Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)?
The CAS number of Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) is 115991-79-2.
What is the molecular formula of Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)?
The molecular formula of Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) is C11H17N5O9P2.
What is the molecular weight of Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)?
The molecular weight of Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) is 425.05 g/mol.
Where can I buy Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)?
You can request a quote for Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.