苯酚葡糖醛酸苷
TL;DR: 苯酚葡糖醛酸苷 (CAS 17685-05-1) is a chemical compound with molecular formula C12H14O7 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯酚葡糖醛酸苷
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
Also Known As: phenyl glucuronide, phenol glucuronide, Phenylglucuronide, Phenyl b-D-glucuronide, phenol-glucuronide
| Molecular Formula | C12H14O7 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.07394 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 17685-05-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | WVHAUDNUGBNUDZ-GOVZDWNOSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯酚葡糖醛酸苷 (CAS 17685-05-1), with molecular formula C12H14O7 and molecular weight 270.07 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid.
Chemical Property Profile of 苯酚葡糖醛酸苷
Property Insights of 苯酚葡糖醛酸苷
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯酚葡糖醛酸苷. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯酚葡糖醛酸苷. Following Lipinski's Rule of Five, 苯酚葡糖醛酸苷 has 4 hydrogen bond donor(s) and 7 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 苯酚葡糖醛酸苷?
The CAS number of 苯酚葡糖醛酸苷 is 17685-05-1.
What is the molecular formula of 苯酚葡糖醛酸苷?
The molecular formula of 苯酚葡糖醛酸苷 is C12H14O7.
What is the molecular weight of 苯酚葡糖醛酸苷?
The molecular weight of 苯酚葡糖醛酸苷 is 270.07 g/mol.
Where can I buy 苯酚葡糖醛酸苷?
You can request a quote for 苯酚葡糖醛酸苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯酚葡糖醛酸苷?
Yes, KEHONG BIO provides custom synthesis services for 苯酚葡糖醛酸苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.