Thuringiensin
TL;DR: Thuringiensin (CAS 23526-02-5) is a chemical compound with molecular formula C22H32N5O19P and molecular weight 701.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acid
Also Known As: Thuringiensin, 2-[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acid, 2-{[(2R,3R,4R,5S,6R)-5-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-4-(phosphonooxy)hexanedioic acid
| Molecular Formula | C22H32N5O19P |
|---|---|
| Molecular Weight | 701.14 g/mol |
| LogP | -7.0 |
| Topological Polar Surface Area | 390.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 14 |
| Exact Mass | 701.1429 |
| Heavy Atoms | 47 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 23526-02-5 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)OC(C(C(C(C(=O)O)O)OP(=O)(O)O)O)C(=O)O)CO)O)O)N |
| InChIKey | OTLLEIBWKHEHGU-BZSGWPIQSA-N |
Product Overview
Thuringiensin (CAS 23526-02-5), with molecular formula C22H32N5O19P and molecular weight 701.14 g/mol. IUPAC: 2-[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acid.
Chemical Property Profile of Thuringiensin
Property Insights of Thuringiensin
The XLogP value of -7.0 indicates that Thuringiensin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 390.0 Ų indicates high polarity, suggesting Thuringiensin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thuringiensin has 12 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 Thuringiensin?
The CAS number of Thuringiensin is 23526-02-5.
What is the molecular formula of Thuringiensin?
The molecular formula of Thuringiensin is C22H32N5O19P.
What is the molecular weight of Thuringiensin?
The molecular weight of Thuringiensin is 701.14 g/mol.
Where can I buy Thuringiensin?
You can request a quote for Thuringiensin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thuringiensin?
Yes, KEHONG BIO provides custom synthesis services for Thuringiensin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.