echinocandin B nucleus
TL;DR: echinocandin B nucleus (CAS 79411-15-7) is a chemical compound with molecular formula C34H51N7O15 and molecular weight 797.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-amino-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
Also Known As: EchinocandinB, Echinocandin B0, echinocandin B nucleus, Anidulafungin Nucleus, Echinocandin Impurity 2
| Molecular Formula | C34H51N7O15 |
|---|---|
| Molecular Weight | 797.34 g/mol |
| LogP | -7.3014 |
| Topological Polar Surface Area | 365.11 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 797.3443 |
| Heavy Atoms | 56 |
| Complexity | 1616.1229 |
Chemical Identifiers
| CAS Number | 79411-15-7 |
|---|---|
| SMILES | C[C@H]1CN2[C@@H]([C@H]1O)C(=O)N[C@@H]([C@@H](C[C@@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C2=O)[C@@H](C)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)O)[C@@H](C)O)N)O)O |
Product Overview
echinocandin B nucleus (CAS 79411-15-7), with molecular formula C34H51N7O15 and molecular weight 797.34 g/mol. IUPAC: (3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-amino-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone.
Chemical Property Profile of echinocandin B nucleus
Property Insights of echinocandin B nucleus
The XLogP value of -7.3014 indicates that echinocandin B nucleus is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.11 Ų indicates high polarity, suggesting echinocandin B nucleus may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, echinocandin B nucleus has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of echinocandin B nucleus?
The CAS number of echinocandin B nucleus is 79411-15-7.
What is the molecular formula of echinocandin B nucleus?
The molecular formula of echinocandin B nucleus is C34H51N7O15.
What is the molecular weight of echinocandin B nucleus?
The molecular weight of echinocandin B nucleus is 797.34 g/mol.
Where can I buy echinocandin B nucleus?
You can request a quote for echinocandin B nucleus directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for echinocandin B nucleus?
Yes, KEHONG BIO provides custom synthesis services for echinocandin B nucleus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.