(4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
TL;DR: (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one (CAS 5355-93-1) is a chemical compound with molecular formula C7H10O5 and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
Also Known As: gabosine c, (-)-Gabosine C, KD 16U1, KD-16U1, KD16-U1
| Molecular Formula | C7H10O5 |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.05283 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 5355-93-1 |
|---|---|
| SMILES | C1=C(C(=O)[C@@H]([C@@H]([C@@H]1O)O)O)CO |
| InChIKey | DEJZWTDEKQRWLD-QXRNQMCJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one (CAS 5355-93-1), with molecular formula C7H10O5 and molecular weight 174.05 g/mol. IUPAC: (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one.
Chemical Property Profile of (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
Property Insights of (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one
The XLogP value of -2.1 indicates that (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one. Following Lipinski's Rule of Five, (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one?
The CAS number of (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one is 5355-93-1.
What is the molecular formula of (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one?
The molecular formula of (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one is C7H10O5.
What is the molecular weight of (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one?
The molecular weight of (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one is 174.05 g/mol.
Where can I buy (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one?
You can request a quote for (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.