5''-Amino-4',5''-dideoxybutirosin A
TL;DR: 5''-Amino-4',5''-dideoxybutirosin A (CAS 6339-27-1) is a chemical compound with molecular formula C21H42N6O10 and molecular weight 538.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
Also Known As: 5-A-4-Ddba, 5''-Amino-4',5''-dideoxybutirosin A, ethyl(6-iodo-2-methyl-4-oxoquinazolin-3(4h)-yl)acetate, 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide, 4-amino-n-{5-amino-3-[(5-amino-5-deoxypentofuranosyl)oxy]-4-[(2,6-diamino-2,4,6-trideoxyhexopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide
| Molecular Formula | C21H42N6O10 |
|---|---|
| Molecular Weight | 538.30 g/mol |
| LogP | -7.1 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 538.29626 |
| Heavy Atoms | 37 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 6339-27-1 |
|---|---|
| SMILES | C1C(OC(C(C1O)N)OC2C(CC(C(C2OC3C(C(C(O3)CN)O)O)O)NC(=O)C(CCN)O)N)CN |
| InChIKey | LRKPNNTVUJAOCJ-UHFFFAOYSA-N |
Product Overview
5''-Amino-4',5''-dideoxybutirosin A (CAS 6339-27-1), with molecular formula C21H42N6O10 and molecular weight 538.30 g/mol. IUPAC: 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide.
Chemical Property Profile of 5''-Amino-4',5''-dideoxybutirosin A
Property Insights of 5''-Amino-4',5''-dideoxybutirosin A
The XLogP value of -7.1 indicates that 5''-Amino-4',5''-dideoxybutirosin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.0 Ų indicates high polarity, suggesting 5''-Amino-4',5''-dideoxybutirosin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5''-Amino-4',5''-dideoxybutirosin A 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 5''-Amino-4',5''-dideoxybutirosin A?
The CAS number of 5''-Amino-4',5''-dideoxybutirosin A is 6339-27-1.
What is the molecular formula of 5''-Amino-4',5''-dideoxybutirosin A?
The molecular formula of 5''-Amino-4',5''-dideoxybutirosin A is C21H42N6O10.
What is the molecular weight of 5''-Amino-4',5''-dideoxybutirosin A?
The molecular weight of 5''-Amino-4',5''-dideoxybutirosin A is 538.30 g/mol.
Where can I buy 5''-Amino-4',5''-dideoxybutirosin A?
You can request a quote for 5''-Amino-4',5''-dideoxybutirosin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5''-Amino-4',5''-dideoxybutirosin A?
Yes, KEHONG BIO provides custom synthesis services for 5''-Amino-4',5''-dideoxybutirosin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.