天麻甙
TL;DR: 天麻甙 (CAS 62499-27-8) is a chemical compound with molecular formula C13H18O7 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
天麻甙
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
Also Known As: Gastrodin, Gastrodine, null, Gastrodin Hemihydrate, Gastrodin CRS
| Molecular Formula | C13H18O7 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.10526 |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 62499-27-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | PUQSUZTXKPLAPR-UJPOAAIJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
天麻甙 (CAS 62499-27-8), with molecular formula C13H18O7 and molecular weight 286.11 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol.
Chemical Property Profile of 天麻甙
Property Insights of 天麻甙
The XLogP value of -0.8 indicates that 天麻甙 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 天麻甙. Following Lipinski's Rule of Five, 天麻甙 has 5 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 天麻甙?
The CAS number of 天麻甙 is 62499-27-8.
What is the molecular formula of 天麻甙?
The molecular formula of 天麻甙 is C13H18O7.
What is the molecular weight of 天麻甙?
The molecular weight of 天麻甙 is 286.11 g/mol.
Where can I buy 天麻甙?
You can request a quote for 天麻甙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 天麻甙?
Yes, KEHONG BIO provides custom synthesis services for 天麻甙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.