1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B
TL;DR: 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B (CAS 83071-96-9) is a chemical compound with molecular formula C45H90N12O25 and molecular weight 1198.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide);carbonic acid
Also Known As: Ahbd-kanamycin B, 1-N-((S)-4-Amino-2-hydroxybutyryl)-2''-deoxykanamycin B, 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;carbonic acid, D-Streptamine, O-3-amino-2,3-dideoxy-alpha-D-arabino-hexopyranosyl-(1-6)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, carbonate (2:1) (salt), 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide,carbonic acid
| Molecular Formula | C45H90N12O25 |
|---|---|
| Molecular Weight | 1198.61 g/mol |
| LogP | -14.6348 |
| Topological Polar Surface Area | 693.0 Ų |
| Hydrogen Bond Donors | 26 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 20 |
| Exact Mass | 1198.614 |
| Heavy Atoms | 82 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 83071-96-9 |
|---|---|
| SMILES | C1C(C(C(C(C1NC(=O)C(CCN)O)OC2CC(C(C(O2)CO)O)N)O)OC3C(C(C(C(O3)CN)O)O)N)N.C1C(C(C(C(C1NC(=O)C(CCN)O)OC2CC(C(C(O2)CO)O)N)O)OC3C(C(C(C(O3)CN)O)O)N)N.C(=O)(O)O |
| InChIKey | GXLIAVWTSGUGBV-UHFFFAOYSA-N |
Product Overview
1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B (CAS 83071-96-9), with molecular formula C45H90N12O25 and molecular weight 1198.61 g/mol. IUPAC: bis(4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide);carbonic acid.
Chemical Property Profile of 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B
Property Insights of 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B
The XLogP value of -14.6348 indicates that 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 693.0 Ų indicates high polarity, suggesting 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B has 26 hydrogen bond donor(s) and 35 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)-2''-deoxykanamycin B?
The CAS number of 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B is 83071-96-9.
What is the molecular formula of 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B?
The molecular formula of 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B is C45H90N12O25.
What is the molecular weight of 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B?
The molecular weight of 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B is 1198.61 g/mol.
Where can I buy 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B?
You can request a quote for 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B 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)-2''-deoxykanamycin B?
Yes, KEHONG BIO provides custom synthesis services for 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.