9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine
TL;DR: 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine (CAS 130699-78-4) is a chemical compound with molecular formula C12H19N6O12P3 and molecular weight 532.0274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,5R)-5-[2-amino-6-(aziridin-1-yl)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 6edDTP, 9-(2-Deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine, [[(2R,3S,5R)-5-[2-amino-6-(aziridin-1-yl)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 9H-Purin-2-amine, 6-(1-aziridinyl)-9-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-
Technical Specifications
| Molecular Formula | C12H19N6O12P3 |
| Molecular Weight | 532.0274 g/mol |
| XLogP | -3.8 |
| Topological Polar Surface Area (TPSA) | 262.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.0274 Da |
| Heavy Atoms | 33 |
| Complexity | 875.0 |
| SMILES | C1CN1C2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N |
| InChIKey | KZPYIXYWYDDYGF-XLPZGREQSA-N |
Chemical Property Profile of 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine
Property Insights of 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine
The XLogP value of -3.8 indicates that 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 262.0 Ų indicates high polarity, suggesting 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine?
The CAS number of 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine is 130699-78-4.
What is the molecular formula of 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine?
The molecular formula of 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine is C12H19N6O12P3.
What is the molecular weight of 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine?
The molecular weight of 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine is 532.0274 g/mol.
Where can I buy 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine?
You can request a quote for 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine?
Yes, CoreyChem provides custom synthesis services for 9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.