6'-N-t-Butylsisomicin
TL;DR: 6'-N-t-Butylsisomicin (CAS 63142-39-2) is a chemical compound with molecular formula C23H45N5O7 and molecular weight 503.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,6-diamino-3-[[3-amino-5-[(tert-butylamino)methyl]-3,6-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Also Known As: 6'-N-tert-Butylsisomicin, 6'-N-t-Butylsisomicin, C23H45N5O7.1/2H2O, C23-H45-N5-O7.1/2H2-O, D-Streptamine, 2-amino-2,3,4,6-tetradeoxy-6-((1,1-dimethylethyl)amino)-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl)-(1-6)-2-deoxy-, hemihydrate
| Molecular Formula | C23H45N5O7 |
|---|---|
| Molecular Weight | 503.33 g/mol |
| LogP | -2.7697 |
| Topological Polar Surface Area | 199.73 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.3319 |
| Heavy Atoms | 35 |
| Complexity | 733.53894 |
Chemical Identifiers
| CAS Number | 63142-39-2 |
|---|---|
| SMILES | CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C=C(CO3)CNC(C)(C)C)N)N)N)O |
Product Overview
6'-N-t-Butylsisomicin (CAS 63142-39-2), with molecular formula C23H45N5O7 and molecular weight 503.33 g/mol. IUPAC: 2-[4,6-diamino-3-[[3-amino-5-[(tert-butylamino)methyl]-3,6-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.
Chemical Property Profile of 6'-N-t-Butylsisomicin
Property Insights of 6'-N-t-Butylsisomicin
The XLogP value of -2.7697 indicates that 6'-N-t-Butylsisomicin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.73 Ų indicates high polarity, suggesting 6'-N-t-Butylsisomicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6'-N-t-Butylsisomicin 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-t-Butylsisomicin?
The CAS number of 6'-N-t-Butylsisomicin is 63142-39-2.
What is the molecular formula of 6'-N-t-Butylsisomicin?
The molecular formula of 6'-N-t-Butylsisomicin is C23H45N5O7.
What is the molecular weight of 6'-N-t-Butylsisomicin?
The molecular weight of 6'-N-t-Butylsisomicin is 503.33 g/mol.
Where can I buy 6'-N-t-Butylsisomicin?
You can request a quote for 6'-N-t-Butylsisomicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-N-t-Butylsisomicin?
Yes, KEHONG BIO provides custom synthesis services for 6'-N-t-Butylsisomicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.