3''-Adenylylstreptomycin
TL;DR: 3''-Adenylylstreptomycin (CAS 22169-43-3) is a chemical compound with molecular formula C31H51N12O18P and molecular weight 910.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2S,3S,4S,5S,6S)-2-[(2R,3R,4R,5S)-2-[(1R,2S,3R,4R,5S,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-4-yl] hydrogen phosphate
Also Known As: 3''-Adenylylstreptomycin, O-3-adenylate, Adenylylstreptomycin, Streptomycin, monoester with 5'-adenylic acid, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2S,3S,4S,5S,6S)-2-[(2R,3R,4R,5S)-2-[(1R,2S,3R,4R,5S,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-4-yl] hydrogen phosphate
| Molecular Formula | C31H51N12O18P |
|---|---|
| Molecular Weight | 910.32 g/mol |
| LogP | -12.8 |
| Topological Polar Surface Area | 491.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 15 |
| Exact Mass | 910.3182 |
| Heavy Atoms | 62 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 22169-43-3 |
|---|---|
| SMILES | C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)NC)(C=O)O |
| InChIKey | XXCKFFAFJMNLBC-YSLWDUGSSA-N |
Product Overview
3''-Adenylylstreptomycin (CAS 22169-43-3), with molecular formula C31H51N12O18P and molecular weight 910.32 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2S,3S,4S,5S,6S)-2-[(2R,3R,4R,5S)-2-[(1R,2S,3R,4R,5S,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-4-yl] hydrogen phosphate.
Chemical Property Profile of 3''-Adenylylstreptomycin
Property Insights of 3''-Adenylylstreptomycin
The XLogP value of -12.8 indicates that 3''-Adenylylstreptomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 491.0 Ų indicates high polarity, suggesting 3''-Adenylylstreptomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3''-Adenylylstreptomycin has 15 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3''-Adenylylstreptomycin?
The CAS number of 3''-Adenylylstreptomycin is 22169-43-3.
What is the molecular formula of 3''-Adenylylstreptomycin?
The molecular formula of 3''-Adenylylstreptomycin is C31H51N12O18P.
What is the molecular weight of 3''-Adenylylstreptomycin?
The molecular weight of 3''-Adenylylstreptomycin is 910.32 g/mol.
Where can I buy 3''-Adenylylstreptomycin?
You can request a quote for 3''-Adenylylstreptomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3''-Adenylylstreptomycin?
Yes, KEHONG BIO provides custom synthesis services for 3''-Adenylylstreptomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.