Calicheamicin T
TL;DR: Calicheamicin T (CAS 142518-72-7) is a chemical compound with molecular formula C32H43N3O11S3 and molecular weight 741.206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[(1S,4Z,8S,13E)-8-[(2R,3R,4S,5S,6R)-3-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxyamino)-6-methyloxan-2-yl]oxy-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate
Also Known As: Calicheamicin T, Methyl (1S-(1R*,4Z,8S*,13E))-(8-((4,6-dideoxy-2-O-(2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranosyl)-4-(hydroxyamino)-beta-D-glucopyranosyl)oxy)-1-hydroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)carbamate, methyl N-[(1S,4Z,8S,13E)-8-[(2R,3R,4S,5S,6R)-3-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxyamino)-6-methyloxan-2-yl]oxy-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate, Carbamic acid, (8-((4,6-dideoxy-2-O-(2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranosyl)-4-(hydroxyamino)-beta-D-glucopyranosyl)oxy)-1-hydroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)-, methyl ester, (1S-(1R*,4Z,8S*,13E))-, methyl N-[(2S,5Z,9S,13E)-2-[(2R,3R,4S,5S,6R)-3-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxyamino)-6-methyloxan-2-yl]oxy-9-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-12-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]carbamate
Technical Specifications
| Molecular Formula | C32H43N3O11S3 |
| Molecular Weight | 741.206 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 262.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 741.206 Da |
| Heavy Atoms | 49 |
| Complexity | 1430.0 |
| SMILES | CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C#C/C=C\C#C[C@]\4(CC(=O)C(=C3/C4=C\CSSSC)NC(=O)OC)O)C)NO)O |
| InChIKey | VEFPOVNUQXCEDD-DKGFZUBBSA-N |
Chemical Property Profile of Calicheamicin T
Property Insights of Calicheamicin T
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calicheamicin T. The TPSA of 262.0 Ų indicates high polarity, suggesting Calicheamicin T may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calicheamicin T has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Calicheamicin T?
The CAS number of Calicheamicin T is 142518-72-7.
What is the molecular formula of Calicheamicin T?
The molecular formula of Calicheamicin T is C32H43N3O11S3.
What is the molecular weight of Calicheamicin T?
The molecular weight of Calicheamicin T is 741.206 g/mol.
Where can I buy Calicheamicin T?
You can request a quote for Calicheamicin T directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calicheamicin T?
Yes, CoreyChem provides custom synthesis services for Calicheamicin T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.