6'-N-Acetylsisomicin
TL;DR: 6'-N-Acetylsisomicin (CAS 53759-83-4) is a chemical compound with molecular formula C21H39N5O8 and molecular weight 489.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-amino-2-[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-5-hydroxy-3-methyl-4-(methylamino)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide
Also Known As: 6'-N-Acetylsisomicin, Guanidine,N,N'-diphenyl-,monoacetate, 4,6-diamino-2,3-dihydroxycyclohexyl 4-o-{6-[(acetylamino)methyl]-3-amino-3,4-dihydro-2h-pyran-2-yl}-3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside, 4,6-Diamino-2,3-dihydroxycyclohexyl 4-O-(3-amino-6-{[(1-hydroxyethylidene)amino]methyl}-3,4-dihydro-2H-pyran-2-yl)-3-deoxy-4-C-methyl-3-(methylamino)pentopyranoside, N-[[3-amino-2-[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-5-hydroxy-3-methyl-4-(methylamino)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide
| Molecular Formula | C21H39N5O8 |
|---|---|
| Molecular Weight | 489.28 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.27988 |
| Heavy Atoms | 34 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 53759-83-4 |
|---|---|
| SMILES | CC(=O)NCC1=CCC(C(O1)OC2(COC(C(C2NC)O)OC3C(CC(C(C3O)O)N)N)C)N |
| InChIKey | MPHWRXDRITYEGT-UHFFFAOYSA-N |
Product Overview
6'-N-Acetylsisomicin (CAS 53759-83-4), with molecular formula C21H39N5O8 and molecular weight 489.28 g/mol. IUPAC: N-[[3-amino-2-[6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-5-hydroxy-3-methyl-4-(methylamino)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide.
Chemical Property Profile of 6'-N-Acetylsisomicin
Property Insights of 6'-N-Acetylsisomicin
The XLogP value of -4.8 indicates that 6'-N-Acetylsisomicin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting 6'-N-Acetylsisomicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6'-N-Acetylsisomicin has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-N-Acetylsisomicin?
The CAS number of 6'-N-Acetylsisomicin is 53759-83-4.
What is the molecular formula of 6'-N-Acetylsisomicin?
The molecular formula of 6'-N-Acetylsisomicin is C21H39N5O8.
What is the molecular weight of 6'-N-Acetylsisomicin?
The molecular weight of 6'-N-Acetylsisomicin is 489.28 g/mol.
Where can I buy 6'-N-Acetylsisomicin?
You can request a quote for 6'-N-Acetylsisomicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-N-Acetylsisomicin?
Yes, KEHONG BIO provides custom synthesis services for 6'-N-Acetylsisomicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.