Herbicidin B
TL;DR: Herbicidin B (CAS 55353-32-7) is a chemical compound with molecular formula C18H23N5O9 and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,3S,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
Also Known As: Herbicidin B, Herbicidine B, methyl (1S,3S,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate, (2R,3R,3aS,4aS,5S,6S,7S,8aR,9aR)-Methyl 2-(6-amino-9H-purin-9-yl)-4a,5,6-trihydroxy-3-methoxydecahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate, 9-(6,10-Anhydro-5-deoxy-11-methyl-2-O-methyl-beta-D-arabino-alpha-L-ido-undec-7-ulopyranosefuranosyluronosyl)-9H-purin-6-amine
| Molecular Formula | C18H23N5O9 |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.14957 |
| Heavy Atoms | 32 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 55353-32-7 |
|---|---|
| SMILES | CO[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@@](O2)([C@H]([C@@H]([C@H](O3)C(=O)OC)O)O)O)O[C@H]1N4C=NC5=C(N=CN=C54)N |
| InChIKey | GZBSICLBZYSADI-DHNWSQMASA-N |
Product Overview
Herbicidin B (CAS 55353-32-7), with molecular formula C18H23N5O9 and molecular weight 453.15 g/mol. IUPAC: methyl (1S,3S,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate.
Chemical Property Profile of Herbicidin B
Property Insights of Herbicidin B
The XLogP value of -2.3 indicates that Herbicidin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting Herbicidin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Herbicidin B has 4 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 Herbicidin B?
The CAS number of Herbicidin B is 55353-32-7.
What is the molecular formula of Herbicidin B?
The molecular formula of Herbicidin B is C18H23N5O9.
What is the molecular weight of Herbicidin B?
The molecular weight of Herbicidin B is 453.15 g/mol.
Where can I buy Herbicidin B?
You can request a quote for Herbicidin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herbicidin B?
Yes, KEHONG BIO provides custom synthesis services for Herbicidin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.