1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate
TL;DR: 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate (CAS 65566-78-1) is a chemical compound with molecular formula C22H43N5O12 and molecular weight 569.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
Also Known As: 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl)-(1-6)-O-(2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranosyl-(1-4)-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, hydrate, 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide, 4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(2-amino-2,3-dideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanimidic acid, RefChem:336571
| Molecular Formula | C22H43N5O12 |
|---|---|
| Molecular Weight | 569.29 g/mol |
| LogP | -7.395 |
| Topological Polar Surface Area | 311.71 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 569.29083 |
| Heavy Atoms | 39 |
| Complexity | 785.71436 |
Chemical Identifiers
| CAS Number | 65566-78-1 |
|---|---|
| SMILES | C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CO)O)N)N |
Product Overview
1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate (CAS 65566-78-1), with molecular formula C22H43N5O12 and molecular weight 569.29 g/mol. IUPAC: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide.
Chemical Property Profile of 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate
Property Insights of 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate
The XLogP value of -7.395 indicates that 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 311.71 Ų indicates high polarity, suggesting 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate has 12 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate?
The CAS number of 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate is 65566-78-1.
What is the molecular formula of 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate?
The molecular formula of 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate is C22H43N5O12.
What is the molecular weight of 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate?
The molecular weight of 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate is 569.29 g/mol.
Where can I buy 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate?
You can request a quote for 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-N-((S)-4-Amino-2-hydroxybutyryl)-3'-deoxykanamycin C hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.