Penicillin dihydrostreptomycin
TL;DR: Penicillin dihydrostreptomycin (CAS 8017-41-2) is a chemical compound with molecular formula C50H79N11O18S and molecular weight 1153.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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;2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Penicillin dihydrostreptomycin, 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; 2-diethylaminoethyl 4-aminobenzoate; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C50H79N11O18S |
|---|---|
| Molecular Weight | 1153.53 g/mol |
| LogP | -5.7395 |
| Topological Polar Surface Area | 507.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Exact Mass | 1153.5325 |
| Heavy Atoms | 80 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 8017-41-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.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.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| InChIKey | SCKOZAOOPAANGA-QTJXDAAMSA-N |
Product Overview
Penicillin dihydrostreptomycin (CAS 8017-41-2), with molecular formula C50H79N11O18S and molecular weight 1153.53 g/mol. IUPAC: 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;2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Penicillin dihydrostreptomycin
Property Insights of Penicillin dihydrostreptomycin
The XLogP value of -5.7395 indicates that Penicillin dihydrostreptomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 507.0 Ų indicates high polarity, suggesting Penicillin dihydrostreptomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Penicillin dihydrostreptomycin has 16 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Penicillin dihydrostreptomycin?
The CAS number of Penicillin dihydrostreptomycin is 8017-41-2.
What is the molecular formula of Penicillin dihydrostreptomycin?
The molecular formula of Penicillin dihydrostreptomycin is C50H79N11O18S.
What is the molecular weight of Penicillin dihydrostreptomycin?
The molecular weight of Penicillin dihydrostreptomycin is 1153.53 g/mol.
Where can I buy Penicillin dihydrostreptomycin?
You can request a quote for Penicillin dihydrostreptomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicillin dihydrostreptomycin?
Yes, KEHONG BIO provides custom synthesis services for Penicillin dihydrostreptomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.