Phytomycin
TL;DR: Phytomycin (CAS 41325-73-9) is a chemical compound with molecular formula C21H40ClN7O12 and molecular weight 617.24 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-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;hydrochloride
Also Known As: Phytomycin, Streptomycin hydrochloride, 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-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine hydrochloride, N,N'-[(1R,2R,3S,4R,5R,6S)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine--hydrogen chloride (1/1), N,N'-[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-formylpentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine--hydrogen chloride (1/1)
| Molecular Formula | C21H40ClN7O12 |
|---|---|
| Molecular Weight | 617.24 g/mol |
| LogP | -7.7393 |
| Topological Polar Surface Area | 336.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 617.2424 |
| Heavy Atoms | 41 |
| Complexity | 940.0 |
Chemical Identifiers
| CAS Number | 41325-73-9 |
|---|---|
| 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)(C=O)O.Cl |
| InChIKey | OUPXGZWWSAGXEC-RMIBZTJPSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phytomycin (CAS 41325-73-9), with molecular formula C21H40ClN7O12 and molecular weight 617.24 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-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;hydrochloride.
Chemical Property Profile of Phytomycin
Property Insights of Phytomycin
The XLogP value of -7.7393 indicates that Phytomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 336.0 Ų indicates high polarity, suggesting Phytomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phytomycin has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phytomycin?
The CAS number of Phytomycin is 41325-73-9.
What is the molecular formula of Phytomycin?
The molecular formula of Phytomycin is C21H40ClN7O12.
What is the molecular weight of Phytomycin?
The molecular weight of Phytomycin is 617.24 g/mol.
Where can I buy Phytomycin?
You can request a quote for Phytomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phytomycin?
Yes, KEHONG BIO provides custom synthesis services for Phytomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.