Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-
TL;DR: Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- (CAS 150283-04-8) is a chemical compound with molecular formula C50H82N8O16 and molecular weight 1050.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1S)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
Also Known As: Echinocandin B0, Caspofungin Impurity E, Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-, L 731373, L-731,373
| Molecular Formula | C50H82N8O16 |
|---|---|
| Molecular Weight | 1050.58 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 394.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Exact Mass | 1050.5848 |
| Heavy Atoms | 74 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 150283-04-8 |
|---|---|
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@H](CCN)O)O)O)O |
| InChIKey | OXVVQYCKEAJWFA-DATADPGSSA-N |
Product Overview
Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- (CAS 150283-04-8), with molecular formula C50H82N8O16 and molecular weight 1050.58 g/mol. IUPAC: N-[(3S,6S,9S,11R,15S,18R,20R,21R,24S,25S)-3-[(1S)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide.
Chemical Property Profile of Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-
Property Insights of Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-. The TPSA of 394.0 Ų indicates high polarity, suggesting Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- has 15 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-?
The CAS number of Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- is 150283-04-8.
What is the molecular formula of Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-?
The molecular formula of Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- is C50H82N8O16.
What is the molecular weight of Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-?
The molecular weight of Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- is 1050.58 g/mol.
Where can I buy Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-?
You can request a quote for Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-?
Yes, KEHONG BIO provides custom synthesis services for Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.