Adenylyl dihydrostreptomycin
TL;DR: Adenylyl dihydrostreptomycin (CAS 95327-19-8) is a chemical compound with molecular formula C31H55N12O19P and molecular weight 930.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
Also Known As: Dhs-amp, Adenylyl dihydrostreptomycin, [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine, [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine, 5'-Adenylic acid, ester with O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-streptamine
| Molecular Formula | C31H55N12O19P |
|---|---|
| Molecular Weight | 930.34 g/mol |
| LogP | -10.2307 |
| Topological Polar Surface Area | 526.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 930.3444 |
| Heavy Atoms | 63 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 95327-19-8 |
|---|---|
| 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)O)NC)(CO)O.C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
| InChIKey | XBRXZEJTZWTSKA-LYYCMFPXSA-N |
Product Overview
Adenylyl dihydrostreptomycin (CAS 95327-19-8), with molecular formula C31H55N12O19P and molecular weight 930.34 g/mol. IUPAC: [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine.
Chemical Property Profile of Adenylyl dihydrostreptomycin
Property Insights of Adenylyl dihydrostreptomycin
The XLogP value of -10.2307 indicates that Adenylyl dihydrostreptomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 526.0 Ų indicates high polarity, suggesting Adenylyl dihydrostreptomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylyl dihydrostreptomycin has 18 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenylyl dihydrostreptomycin?
The CAS number of Adenylyl dihydrostreptomycin is 95327-19-8.
What is the molecular formula of Adenylyl dihydrostreptomycin?
The molecular formula of Adenylyl dihydrostreptomycin is C31H55N12O19P.
What is the molecular weight of Adenylyl dihydrostreptomycin?
The molecular weight of Adenylyl dihydrostreptomycin is 930.34 g/mol.
Where can I buy Adenylyl dihydrostreptomycin?
You can request a quote for Adenylyl dihydrostreptomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenylyl dihydrostreptomycin?
Yes, KEHONG BIO provides custom synthesis services for Adenylyl dihydrostreptomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.