腺苷磷酸肌醇A
TL;DR: 腺苷磷酸肌醇A (CAS 149091-92-9) is a chemical compound with molecular formula C16H26N5O18P3 and molecular weight 669.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
腺苷磷酸肌醇A
[2-(6-aminopurin-9-yl)-4-[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Also Known As: adenophostin a, [2-(6-aminopurin-9-yl)-4-[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate, [2-(6-aminopurin-9-yl)-4-[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
| Molecular Formula | C16H26N5O18P3 |
|---|---|
| Molecular Weight | 669.05 g/mol |
| LogP | -7.0 |
| Topological Polar Surface Area | 358.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 669.0486 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 149091-92-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N |
| InChIKey | RENVITLQVBEFDT-UHFFFAOYSA-N |
Product Overview
腺苷磷酸肌醇A (CAS 149091-92-9), with molecular formula C16H26N5O18P3 and molecular weight 669.05 g/mol. IUPAC: [2-(6-aminopurin-9-yl)-4-[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate.
Chemical Property Profile of 腺苷磷酸肌醇A
Property Insights of 腺苷磷酸肌醇A
The XLogP value of -7.0 indicates that 腺苷磷酸肌醇A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 358.0 Ų indicates high polarity, suggesting 腺苷磷酸肌醇A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 腺苷磷酸肌醇A has 10 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 腺苷磷酸肌醇A?
The CAS number of 腺苷磷酸肌醇A is 149091-92-9.
What is the molecular formula of 腺苷磷酸肌醇A?
The molecular formula of 腺苷磷酸肌醇A is C16H26N5O18P3.
What is the molecular weight of 腺苷磷酸肌醇A?
The molecular weight of 腺苷磷酸肌醇A is 669.05 g/mol.
Where can I buy 腺苷磷酸肌醇A?
You can request a quote for 腺苷磷酸肌醇A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 腺苷磷酸肌醇A?
Yes, KEHONG BIO provides custom synthesis services for 腺苷磷酸肌醇A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.