3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯
TL;DR: 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 (CAS 187235-30-9) is a chemical compound with molecular formula C6H16NO14P3 and molecular weight 418.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯
[(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: 3-Amino-3-deoxy-ins(1,4,5)P3, KST-1A2259, KST-1A2260, 3-Amino-3-deoxy-myo-inositol 1,4,5-trisphosphate, [(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
| Molecular Formula | C6H16NO14P3 |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | -9.5 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.97836 |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 187235-30-9 |
|---|---|
| SMILES | [C@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O)N |
| InChIKey | RHUZQIJSAKZPDO-UOTPTPDRSA-N |
Product Overview
3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 (CAS 187235-30-9), with molecular formula C6H16NO14P3 and molecular weight 418.98 g/mol. IUPAC: [(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate.
Chemical Property Profile of 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯
Property Insights of 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯
The XLogP value of -9.5 indicates that 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 267.0 Ų indicates high polarity, suggesting 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯?
The CAS number of 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 is 187235-30-9.
What is the molecular formula of 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯?
The molecular formula of 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 is C6H16NO14P3.
What is the molecular weight of 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯?
The molecular weight of 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 is 418.98 g/mol.
Where can I buy 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯?
You can request a quote for 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-3-脱氧-肌醇1,4,5-三磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.