Protogracillin
TL;DR: Protogracillin (CAS 99664-39-8) is a chemical compound with molecular formula C51H84O23 and molecular weight 1064.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Protogracillin, Proto-Gracillin, Protoneogracillin, PROTOGRACILLIN(P), HY-N4271
| Molecular Formula | C51H84O23 |
|---|---|
| Molecular Weight | 1064.54 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 366.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 15 |
| Exact Mass | 1064.5403 |
| Heavy Atoms | 74 |
| Complexity | 1920.0 |
Chemical Identifiers
| CAS Number | 99664-39-8 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O |
| InChIKey | GMCGZPQYTRHQRU-DKWQWWTLSA-N |
Product Overview
Protogracillin (CAS 99664-39-8), with molecular formula C51H84O23 and molecular weight 1064.54 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Protogracillin
Property Insights of Protogracillin
The XLogP value of -1.2 indicates that Protogracillin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 366.0 Ų indicates high polarity, suggesting Protogracillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Protogracillin has 14 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Protogracillin?
The CAS number of Protogracillin is 99664-39-8.
What is the molecular formula of Protogracillin?
The molecular formula of Protogracillin is C51H84O23.
What is the molecular weight of Protogracillin?
The molecular weight of Protogracillin is 1064.54 g/mol.
Where can I buy Protogracillin?
You can request a quote for Protogracillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protogracillin?
Yes, KEHONG BIO provides custom synthesis services for Protogracillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.