月橘烯碱
TL;DR: 月橘烯碱 (CAS 96624-37-2) is a chemical compound with molecular formula C28H37N11O10 and molecular weight 687.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
月橘烯碱
[(2R,3S,4R,5R)-5-[6-[4-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl 2-aminoacetate
Also Known As: Oaogdab, KST-1A9153, 2'(3')-O-Acetyl-2'(3')-O-glycyl-1,2-di(adenosine-N(6)-yl)butane, [(2R,3S,4R,5R)-5-[6-[4-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl 2-aminoacetate, [(2r,3s,4r,5r)-5-(6-{[4-({9-[(2r,3r,4r,5r)-3-(acetyloxy)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9h-purin-6-yl}amino)butyl]amino}-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl aminoacetate(non-preferred name)
| Molecular Formula | C28H37N11O10 |
|---|---|
| Molecular Weight | 687.27 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 289.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 687.27246 |
| Heavy Atoms | 49 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 96624-37-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCCCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)COC(=O)CN)O)O)CO)O |
| InChIKey | GAVVRTCQVIUGPD-VYHVXXRISA-N |
Product Overview
月橘烯碱 (CAS 96624-37-2), with molecular formula C28H37N11O10 and molecular weight 687.27 g/mol. IUPAC: [(2R,3S,4R,5R)-5-[6-[4-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl 2-aminoacetate.
Chemical Property Profile of 月橘烯碱
Property Insights of 月橘烯碱
The XLogP value of -2.3 indicates that 月橘烯碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 289.0 Ų indicates high polarity, suggesting 月橘烯碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 月橘烯碱 has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 月橘烯碱?
The CAS number of 月橘烯碱 is 96624-37-2.
What is the molecular formula of 月橘烯碱?
The molecular formula of 月橘烯碱 is C28H37N11O10.
What is the molecular weight of 月橘烯碱?
The molecular weight of 月橘烯碱 is 687.27 g/mol.
Where can I buy 月橘烯碱?
You can request a quote for 月橘烯碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 月橘烯碱?
Yes, KEHONG BIO provides custom synthesis services for 月橘烯碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.