Agrocinopin B
TL;DR: Agrocinopin B (CAS 77193-03-4) is a chemical compound with molecular formula C11H21O13P and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
Also Known As: Agrocinopin B, Agrocinopine B, [(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate, ((3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl) ((2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl) hydrogen phosphate, (3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-oxohexyl (2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl hydrogen phosphate
| Molecular Formula | C11H21O13P |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | -6.2 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 392.072 |
| Heavy Atoms | 25 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 77193-03-4 |
|---|---|
| SMILES | C([C@@H]([C@@H]([C@H](C=O)OP(=O)(O)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O |
| InChIKey | HELVVCIMDCGZJH-SPXMWDITSA-N |
Product Overview
Agrocinopin B (CAS 77193-03-4), with molecular formula C11H21O13P and molecular weight 392.07 g/mol. IUPAC: [(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate.
Chemical Property Profile of Agrocinopin B
Property Insights of Agrocinopin B
The XLogP value of -6.2 indicates that Agrocinopin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.0 Ų indicates high polarity, suggesting Agrocinopin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agrocinopin B has 8 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 Agrocinopin B?
The CAS number of Agrocinopin B is 77193-03-4.
What is the molecular formula of Agrocinopin B?
The molecular formula of Agrocinopin B is C11H21O13P.
What is the molecular weight of Agrocinopin B?
The molecular weight of Agrocinopin B is 392.07 g/mol.
Where can I buy Agrocinopin B?
You can request a quote for Agrocinopin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agrocinopin B?
Yes, KEHONG BIO provides custom synthesis services for Agrocinopin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.