5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-
TL;DR: 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- (CAS 133551-47-0) is a chemical compound with molecular formula C29H30N5O9P and molecular weight 623.1781 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-hydroxy-5-[6-[[(1S,2R,3S,4R)-2,3,4-trihydroxy-7-methyl-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-, [3-hydroxy-5-[6-[[(1S,2R,3S,4R)-2,3,4-trihydroxy-7-methyl-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate, 9-(2-Deoxy-5-O-phosphonopentofuranosyl)-N-(2,3,4-trihydroxy-7-methyl-1,2,3,4-tetrahydrotetraphen-1-yl)-9H-purin-6-amine, 9-(2-deoxy-5-O-phosphonopentofuranosyl)-N-[(1S,2R,3S,4R)-2,3,4-trihydroxy-7-methyl-1,2,3,4-tetrahydrotetraphen-1-yl]-9H-purin-6-amine
Technical Specifications
| Molecular Formula | C29H30N5O9P |
| Molecular Weight | 623.1781 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 623.1781 Da |
| Heavy Atoms | 44 |
| Complexity | 1070.0 |
| SMILES | CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)[C@@H]([C@H]([C@H]([C@@H]3O)O)O)NC5=C6C(=NC=N5)N(C=N6)C7CC(C(O7)COP(=O)(O)O)O |
| InChIKey | UDCYUSDDQBLFLF-RHOUQQAOSA-N |
Chemical Property Profile of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-
Property Insights of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-
The XLogP value of -0.1 indicates that 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.0 Ų indicates high polarity, suggesting 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-?
The CAS number of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- is 133551-47-0.
What is the molecular formula of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-?
The molecular formula of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- is C29H30N5O9P.
What is the molecular weight of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-?
The molecular weight of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- is 623.1781 g/mol.
Where can I buy 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-?
You can request a quote for 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-?
Yes, CoreyChem provides custom synthesis services for 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.