3-羟基麦根酸
TL;DR: 3-羟基麦根酸 (CAS 74235-23-7) is a chemical compound with molecular formula C12H20N2O9 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基麦根酸
(2S,3R)-1-[(2S,3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]-3-hydroxyazetidine-2-carboxylic acid
Also Known As: 3-Hydroxymugineic acid, 3-HMA, Epi-hydroxymugineic acid, (2S,3R)-1-[(2S,3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]-3-hydroxyazetidine-2-carboxylic acid, 4-[(2S,3R)-2-carboxy-3-hydroxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-L-allothreonine
| Molecular Formula | C12H20N2O9 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | -7.1 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.11688 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 74235-23-7 |
|---|---|
| SMILES | C1[C@H]([C@H](N1C[C@@H]([C@@H](C(=O)O)NCC[C@@H](C(=O)O)O)O)C(=O)O)O |
| InChIKey | QPIOQLJXMZWNFJ-PQFOHKHZSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基麦根酸 (CAS 74235-23-7), with molecular formula C12H20N2O9 and molecular weight 336.12 g/mol. IUPAC: (2S,3R)-1-[(2S,3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]-3-hydroxyazetidine-2-carboxylic acid.
Chemical Property Profile of 3-羟基麦根酸
Property Insights of 3-羟基麦根酸
The XLogP value of -7.1 indicates that 3-羟基麦根酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting 3-羟基麦根酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-羟基麦根酸 has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-羟基麦根酸?
The CAS number of 3-羟基麦根酸 is 74235-23-7.
What is the molecular formula of 3-羟基麦根酸?
The molecular formula of 3-羟基麦根酸 is C12H20N2O9.
What is the molecular weight of 3-羟基麦根酸?
The molecular weight of 3-羟基麦根酸 is 336.12 g/mol.
Where can I buy 3-羟基麦根酸?
You can request a quote for 3-羟基麦根酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基麦根酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基麦根酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.