2''-Amino-2''-deoxyarbekacin
TL;DR: 2''-Amino-2''-deoxyarbekacin (CAS 147920-22-7) is a chemical compound with molecular formula C22H45N7O9 and molecular weight 551.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5S,6R)-3,4-diamino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
Also Known As: 2''-Amino-2''-deoxyarbekacin, 2''-Amino-2''-deoxy-arbekacin, 2/'/'-Amino-2/'/'-deoxyarbekacin, 2 -Amino-2 -deoxyarbekacin, (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5S,6R)-3,4-diamino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
| Molecular Formula | C22H45N7O9 |
|---|---|
| Molecular Weight | 551.33 g/mol |
| LogP | -7.0 |
| Topological Polar Surface Area | 303.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 551.3279 |
| Heavy Atoms | 38 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 147920-22-7 |
|---|---|
| SMILES | C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)N)NC(=O)[C@H](CCN)O)N)N |
| InChIKey | RNGSOMJZBMQKAG-HJKCZAIBSA-N |
Product Overview
2''-Amino-2''-deoxyarbekacin (CAS 147920-22-7), with molecular formula C22H45N7O9 and molecular weight 551.33 g/mol. IUPAC: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4R,5S,6R)-3,4-diamino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide.
Chemical Property Profile of 2''-Amino-2''-deoxyarbekacin
Property Insights of 2''-Amino-2''-deoxyarbekacin
The XLogP value of -7.0 indicates that 2''-Amino-2''-deoxyarbekacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 303.0 Ų indicates high polarity, suggesting 2''-Amino-2''-deoxyarbekacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2''-Amino-2''-deoxyarbekacin has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2''-Amino-2''-deoxyarbekacin?
The CAS number of 2''-Amino-2''-deoxyarbekacin is 147920-22-7.
What is the molecular formula of 2''-Amino-2''-deoxyarbekacin?
The molecular formula of 2''-Amino-2''-deoxyarbekacin is C22H45N7O9.
What is the molecular weight of 2''-Amino-2''-deoxyarbekacin?
The molecular weight of 2''-Amino-2''-deoxyarbekacin is 551.33 g/mol.
Where can I buy 2''-Amino-2''-deoxyarbekacin?
You can request a quote for 2''-Amino-2''-deoxyarbekacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2''-Amino-2''-deoxyarbekacin?
Yes, KEHONG BIO provides custom synthesis services for 2''-Amino-2''-deoxyarbekacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.