Pneumocandin Do
TL;DR: Pneumocandin Do (CAS 144087-99-0) is a chemical compound with molecular formula C50H80N8O18 and molecular weight 1080.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S,6S,9S,11R,15S,18S,20S,21R,24S,25R,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25,26-pentahydroxy-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 Do, Pneumocandin D0, Pneumocandin D(0), N-[(3S,6S,9S,11R,15S,18S,20S,21R,24S,25R,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25,26-pentahydroxy-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, N-[[(1R)-3-amino-1-hydroxy-3-oxo-propyl]-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-pentahydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide
| Molecular Formula | C50H80N8O18 |
|---|---|
| Molecular Weight | 1080.56 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 432.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 1080.5591 |
| Heavy Atoms | 76 |
| Complexity | 1960.0 |
Chemical Identifiers
| CAS Number | 144087-99-0 |
|---|---|
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H]([C@H](NC(=O)[C@@H]2[C@H]([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)O |
| InChIKey | QDHVQAJPCGRBRI-ULQDJTMQSA-N |
Product Overview
Pneumocandin Do (CAS 144087-99-0), with molecular formula C50H80N8O18 and molecular weight 1080.56 g/mol. IUPAC: N-[(3S,6S,9S,11R,15S,18S,20S,21R,24S,25R,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25,26-pentahydroxy-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 Do
Property Insights of Pneumocandin Do
The XLogP value of -0.5 indicates that Pneumocandin Do is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 432.0 Ų indicates high polarity, suggesting Pneumocandin Do may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pneumocandin Do has 16 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pneumocandin Do?
The CAS number of Pneumocandin Do is 144087-99-0.
What is the molecular formula of Pneumocandin Do?
The molecular formula of Pneumocandin Do is C50H80N8O18.
What is the molecular weight of Pneumocandin Do?
The molecular weight of Pneumocandin Do is 1080.56 g/mol.
Where can I buy Pneumocandin Do?
You can request a quote for Pneumocandin Do directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pneumocandin Do?
Yes, KEHONG BIO provides custom synthesis services for Pneumocandin Do and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.