11-Hydroxysaxitoxin sulphate
TL;DR: 11-Hydroxysaxitoxin sulphate (CAS 68107-90-4) is a chemical compound with molecular formula C19H29N7O8S and molecular weight 515.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-diamino-4-[(1-amino-3-methyl-2-oxo-6-prop-1-en-2-ylcyclohex-3-en-1-yl)oxymethyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulfate
Also Known As: 11-Hydroxysaxitoxin sulfate, 11-Hydroxysaxitoxin sulphate, 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2,6-diamino-4-(((aminocarvonyl)oxy)methyl)-3a,4,8,9-tetrahydro-, 9-(hydrogen sulfate), 2,6-Diamino-4-(((aminocarvonyl)oxy)methyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo(1,2-c)purine-9,10,10-triol 9-(hydrogen sulfate), [2,6-diamino-4-[(1-amino-3-methyl-2-oxo-6-prop-1-en-2-ylcyclohex-3-en-1-yl)oxymethyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulfate
| Molecular Formula | C19H29N7O8S |
|---|---|
| Molecular Weight | 515.18 g/mol |
| LogP | -3.3664 |
| Topological Polar Surface Area | 248.41 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.1798 |
| Heavy Atoms | 35 |
| Complexity | 1167.6964 |
Chemical Identifiers
| CAS Number | 68107-90-4 |
|---|---|
| SMILES | CC1=CCC(C(C1=O)(N)OCC2C3C4(C(C(CN4C(=N2)N)OS(=O)(=O)O)(O)O)NC(=N3)N)C(=C)C |
Product Overview
11-Hydroxysaxitoxin sulphate (CAS 68107-90-4), with molecular formula C19H29N7O8S and molecular weight 515.18 g/mol. IUPAC: [2,6-diamino-4-[(1-amino-3-methyl-2-oxo-6-prop-1-en-2-ylcyclohex-3-en-1-yl)oxymethyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulfate.
Chemical Property Profile of 11-Hydroxysaxitoxin sulphate
Property Insights of 11-Hydroxysaxitoxin sulphate
The XLogP value of -3.3664 indicates that 11-Hydroxysaxitoxin sulphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.41 Ų indicates high polarity, suggesting 11-Hydroxysaxitoxin sulphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-Hydroxysaxitoxin sulphate has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-Hydroxysaxitoxin sulphate?
The CAS number of 11-Hydroxysaxitoxin sulphate is 68107-90-4.
What is the molecular formula of 11-Hydroxysaxitoxin sulphate?
The molecular formula of 11-Hydroxysaxitoxin sulphate is C19H29N7O8S.
What is the molecular weight of 11-Hydroxysaxitoxin sulphate?
The molecular weight of 11-Hydroxysaxitoxin sulphate is 515.18 g/mol.
Where can I buy 11-Hydroxysaxitoxin sulphate?
You can request a quote for 11-Hydroxysaxitoxin sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Hydroxysaxitoxin sulphate?
Yes, KEHONG BIO provides custom synthesis services for 11-Hydroxysaxitoxin sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.