3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside
TL;DR: 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside (CAS 1518-86-1) is a chemical compound with molecular formula C29H43NO18 and molecular weight 693.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-aminopropoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
Also Known As: 3-Apgh, 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-aminopropoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate, 3-aminopropyl 2,3,4-tri-o-acetyl-6-o-(2,3,4,6-tetra-o-acetyl-, A-d-glucopyranosyl)-
| Molecular Formula | C29H43NO18 |
|---|---|
| Molecular Weight | 693.25 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 22 |
| Exact Mass | 693.248 |
| Heavy Atoms | 48 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 1518-86-1 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OCCCN)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | MIQAOWCTIUUTSC-NFBYRGHGSA-N |
Product Overview
3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside (CAS 1518-86-1), with molecular formula C29H43NO18 and molecular weight 693.25 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-aminopropoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside
Property Insights of 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside
The XLogP value of -1.3 indicates that 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside has 1 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside?
The CAS number of 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside is 1518-86-1.
What is the molecular formula of 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside?
The molecular formula of 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside is C29H43NO18.
What is the molecular weight of 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside?
The molecular weight of 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside is 693.25 g/mol.
Where can I buy 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside?
You can request a quote for 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminopropyl 2,3,4,2',3',4',6'-hepta-O-acetylgentiobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.