Trestatin A
TL;DR: Trestatin A (CAS 71884-70-3) is a chemical compound with molecular formula C56H94N2O40 and molecular weight 1434.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Trestatin A, Trestatin, Ro 09-0183, (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, alpha-D-Glucopyranoside, alpha-D-glucopyranosyl O-4,6-dideoxy-4-(((1S-(1-alpha,4-alpha,5-beta,6-alpha))-4-((4-O-(4,6-dideoxy-4-(((1S-(1-alpha,4-alpha,5-beta,6-alpha))-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-
| Molecular Formula | C56H94N2O40 |
|---|---|
| Molecular Weight | 1434.54 g/mol |
| LogP | -18.2592 |
| Topological Polar Surface Area | 690.26 Ų |
| Hydrogen Bond Donors | 29 |
| Hydrogen Bond Acceptors | 42 |
| Rotatable Bonds | 23 |
| Exact Mass | 1434.5383 |
| Heavy Atoms | 98 |
| Complexity | 2552.3098 |
Chemical Identifiers
| CAS Number | 71884-70-3 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)CO)CO)CO)C)O)O)CO)O)O)N[C@H]9C=C([C@H]([C@@H]([C@H]9O)O)O)CO |
Product Overview
Trestatin A (CAS 71884-70-3), with molecular formula C56H94N2O40 and molecular weight 1434.54 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Trestatin A
Property Insights of Trestatin A
The XLogP value of -18.2592 indicates that Trestatin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 690.26 Ų indicates high polarity, suggesting Trestatin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trestatin A has 29 hydrogen bond donor(s) and 42 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trestatin A?
The CAS number of Trestatin A is 71884-70-3.
What is the molecular formula of Trestatin A?
The molecular formula of Trestatin A is C56H94N2O40.
What is the molecular weight of Trestatin A?
The molecular weight of Trestatin A is 1434.54 g/mol.
Where can I buy Trestatin A?
You can request a quote for Trestatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trestatin A?
Yes, KEHONG BIO provides custom synthesis services for Trestatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.