66-40D
TL;DR: 66-40D (CAS 53797-16-3) is a chemical compound with molecular formula C18H35N5O7 and molecular weight 433.25 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-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
Also Known As: Sisomicin-B, Sisomicin B, Antibiotic 66-40D, Sisomicin D, 66-40D
| Molecular Formula | C18H35N5O7 |
|---|---|
| Molecular Weight | 433.25 g/mol |
| LogP | -4.2416 |
| Topological Polar Surface Area | 213.72 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.25366 |
| Heavy Atoms | 30 |
| Complexity | 599.2726 |
Chemical Identifiers
| CAS Number | 53797-16-3 |
|---|---|
| SMILES | CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O |
Product Overview
66-40D (CAS 53797-16-3), with molecular formula C18H35N5O7 and molecular weight 433.25 g/mol. IUPAC: 2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol.
Chemical Property Profile of 66-40D
Property Insights of 66-40D
The XLogP value of -4.2416 indicates that 66-40D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.72 Ų indicates high polarity, suggesting 66-40D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 66-40D 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 66-40D?
The CAS number of 66-40D is 53797-16-3.
What is the molecular formula of 66-40D?
The molecular formula of 66-40D is C18H35N5O7.
What is the molecular weight of 66-40D?
The molecular weight of 66-40D is 433.25 g/mol.
Where can I buy 66-40D?
You can request a quote for 66-40D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 66-40D?
Yes, KEHONG BIO provides custom synthesis services for 66-40D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.