Pneumocandin C(0)
TL;DR: Pneumocandin C(0) (CAS 144074-96-4) is a chemical compound with molecular formula C50H80N8O17 and molecular weight 1064.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S,6S,9S,11R,15S,20S,21R,24S,26R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,26-tetrahydroxy-15-[(1R)-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: Pneumocandin C(0), Pneumocandin C0, Pneumocandin Co, EX-A3229, Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-
| Molecular Formula | C50H80N8O17 |
|---|---|
| Molecular Weight | 1064.56 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 411.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Exact Mass | 1064.5641 |
| Heavy Atoms | 75 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 144074-96-4 |
|---|---|
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CN2C(=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([C@@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O |
| InChIKey | IPMHTGKXJQHTQV-YWVCOZMLSA-N |
Product Overview
Pneumocandin C(0) (CAS 144074-96-4), with molecular formula C50H80N8O17 and molecular weight 1064.56 g/mol. IUPAC: N-[(3S,6S,9S,11R,15S,20S,21R,24S,26R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,26-tetrahydroxy-15-[(1R)-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 C(0)
Property Insights of Pneumocandin C(0)
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pneumocandin C(0). The TPSA of 411.0 Ų indicates high polarity, suggesting Pneumocandin C(0) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pneumocandin C(0) 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 C(0)?
The CAS number of Pneumocandin C(0) is 144074-96-4.
What is the molecular formula of Pneumocandin C(0)?
The molecular formula of Pneumocandin C(0) is C50H80N8O17.
What is the molecular weight of Pneumocandin C(0)?
The molecular weight of Pneumocandin C(0) is 1064.56 g/mol.
Where can I buy Pneumocandin C(0)?
You can request a quote for Pneumocandin C(0) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pneumocandin C(0)?
Yes, KEHONG BIO provides custom synthesis services for Pneumocandin C(0) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.