Tautomycin
TL;DR: Tautomycin (CAS 109946-35-2) is a chemical compound with molecular formula C41H66O13 and molecular weight 766.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,5R,8S,9S,12R)-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxotridecan-3-yl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
Also Known As: Tautomycin, Tautomycin from Streptomyces spiroverticillatus, SID:53786747, ((1R,2R,3R,6S,7S,10R)-10-((2S,3S,6R,8S,9R)-3,9-dimethyl-8-((3S)-3-methyl-4-oxo-pentyl)-1,7-dioxaspiro(5.5)undecan-2-yl)-3,7-dihydroxy-1-isopropyl-2-methoxy-6-methyl-5-oxo-undecyl) (3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-3-furyl)propanoate, ((3R,4R,5R,8S,9S,12R)-12-((2S,3S,6R,8S,9R)-3,9-dimethyl-8-((3S)-3-methyl-4-oxopentyl)-1,7-dioxaspiro(5.5)undecan-2-yl)-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxotridecan-3-yl) (3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
| Molecular Formula | C41H66O13 |
|---|---|
| Molecular Weight | 766.45 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 21 |
| Exact Mass | 766.4503 |
| Heavy Atoms | 54 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 109946-35-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H]([C@@H](C(C)C)OC(=O)C[C@H](C3=C(C(=O)OC3=O)C)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C |
| InChIKey | RFCWHQNNCOJYTR-IRCAEPKSSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tautomycin (CAS 109946-35-2), with molecular formula C41H66O13 and molecular weight 766.45 g/mol. IUPAC: [(3R,4R,5R,8S,9S,12R)-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxotridecan-3-yl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate.
Chemical Property Profile of Tautomycin
Property Insights of Tautomycin
The XLogP value of 4.9 indicates that Tautomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting Tautomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tautomycin has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tautomycin?
The CAS number of Tautomycin is 109946-35-2.
What is the molecular formula of Tautomycin?
The molecular formula of Tautomycin is C41H66O13.
What is the molecular weight of Tautomycin?
The molecular weight of Tautomycin is 766.45 g/mol.
Where can I buy Tautomycin?
You can request a quote for Tautomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tautomycin?
Yes, KEHONG BIO provides custom synthesis services for Tautomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.