5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-
TL;DR: 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- (CAS 133551-49-2) is a chemical compound with molecular formula C30H32N5O9P and molecular weight 637.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-5-[6-[[(1S,2S,3R,4S)-2,3,4-trihydroxy-7,12-dimethyl-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-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-, [3-hydroxy-5-[6-[[(1S,2S,3R,4S)-2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate, 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12-dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-, 9-(2-Deoxy-5-O-phosphonopentofuranosyl)-N-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydrotetraphen-1-yl)-9H-purin-6-amine, 9-(2-deoxy-5-O-phosphonopentofuranosyl)-N-[(1S,2S,3R,4S)-2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydrotetraphen-1-yl]-9H-purin-6-amine
| Molecular Formula | C30H32N5O9P |
|---|---|
| Molecular Weight | 637.19 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 637.1938 |
| Heavy Atoms | 45 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 133551-49-2 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)[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 | ARNVYVLLJPJGJU-YVVQKPKDSA-N |
Product Overview
5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- (CAS 133551-49-2), with molecular formula C30H32N5O9P and molecular weight 637.19 g/mol. IUPAC: [3-hydroxy-5-[6-[[(1S,2S,3R,4S)-2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-
Property Insights of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-. 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-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- 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-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-?
The CAS number of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- is 133551-49-2.
What is the molecular formula of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-?
The molecular formula of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- is C30H32N5O9P.
What is the molecular weight of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-?
The molecular weight of 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- is 637.19 g/mol.
Where can I buy 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-?
You can request a quote for 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-?
Yes, KEHONG BIO provides custom synthesis services for 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.