Sisamine
TL;DR: Sisamine (CAS 91109-84-1) is a chemical compound with molecular formula C12H26N4O8S and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexane-1,2-diol;sulfuric acid
Also Known As: Sisamine, D-Streptamine, 4-O-(3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl)-2-deoxy-, (2S-cis)-, sulfate (1:2) (salt), (1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexane-1,2-diol;sulfuric acid, (1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexane-1,2-diol,sulfuric acid, (1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexane-1,2-diol; sulfuric acid
| Molecular Formula | C12H26N4O8S |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | -3.5848 |
| Topological Polar Surface Area | 237.6 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.14713 |
| Heavy Atoms | 25 |
| Complexity | 551.3184 |
Chemical Identifiers
| CAS Number | 91109-84-1 |
|---|---|
| SMILES | C1C=C(O[C@@H]([C@@H]1N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O)N)N)CN.OS(=O)(=O)O |
Product Overview
Sisamine (CAS 91109-84-1), with molecular formula C12H26N4O8S and molecular weight 386.15 g/mol. IUPAC: (1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexane-1,2-diol;sulfuric acid.
Chemical Property Profile of Sisamine
Property Insights of Sisamine
The XLogP value of -3.5848 indicates that Sisamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 237.6 Ų indicates high polarity, suggesting Sisamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sisamine has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sisamine?
The CAS number of Sisamine is 91109-84-1.
What is the molecular formula of Sisamine?
The molecular formula of Sisamine is C12H26N4O8S.
What is the molecular weight of Sisamine?
The molecular weight of Sisamine is 386.15 g/mol.
Where can I buy Sisamine?
You can request a quote for Sisamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sisamine?
Yes, KEHONG BIO provides custom synthesis services for Sisamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.