Calicheamicin alpha 3
TL;DR: Calicheamicin alpha 3 (CAS 103716-13-8) is a chemical compound with molecular formula C47H59IN2O19S4 and molecular weight 1210.164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[(2R,3S,4S,6S)-6-[[(2R,4S,5R,6R)-4,5-dihydroxy-6-[[(2S,5Z,9R,13Z)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate
Also Known As: Calicheamicin alpha 3, Carbamic acid, (8-((4,6-dideoxy-4-(((2,6-dideoxy-4-S-(4-((6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzoyl)-4-thio-beta-D-ribo-hexopyranosyl)oxy)amino)-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, (1R-(1R*,4Z,8S*,13E))-, S-[(2R,3S,4S,6S)-6-[[(2R,4S,5R,6R)-4,5-dihydroxy-6-[[(2S,5Z,9R,13Z)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate
Technical Specifications
| Molecular Formula | C47H59IN2O19S4 |
| Molecular Weight | 1210.164 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 390.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 19 |
| Exact Mass | 1210.164 Da |
| Heavy Atoms | 73 |
| Complexity | 2200.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C(=C(C(=C2OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ONC4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=C\C#C[C@@]\6(CC(=O)C(=C5/C6=C/CSSSC)NC(=O)OC)O)C)C)C)I)O)OC)O |
| InChIKey | LOIKQPQFDFXTOY-NYTHOTATSA-N |
Product Description
Applications: Calicheamicin alpha 3 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Calicheamicin alpha 3 is a fine chemical identified by CAS number 103716-13-8 and the molecular formula C47H59IN2O19S4 and a molecular weight of 1210.16 g/mol. Synonyms include Calicheamicin alpha 3 and Carbamic acid, (8-((4,6-dideoxy-4-(((2,6-dideoxy-4-S-(4-((6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzoyl)-4-thio-beta-D-ribo-hexopyranosyl)oxy)amino)-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, (1R-(1R*,4Z,8S*,13E))-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Calicheamicin alpha 3
Property Insights of Calicheamicin alpha 3
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calicheamicin alpha 3. The TPSA of 390.0 Ų indicates high polarity, suggesting Calicheamicin alpha 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calicheamicin alpha 3 has 8 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Calicheamicin alpha 3?
The CAS number of Calicheamicin alpha 3 is 103716-13-8.
What is the molecular formula of Calicheamicin alpha 3?
The molecular formula of Calicheamicin alpha 3 is C47H59IN2O19S4.
What is the molecular weight of Calicheamicin alpha 3?
The molecular weight of Calicheamicin alpha 3 is 1210.164 g/mol.
What are the applications of Calicheamicin alpha 3?
Calicheamicin alpha 3 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Calicheamicin alpha 3?
You can request a quote for Calicheamicin alpha 3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calicheamicin alpha 3?
Yes, CoreyChem provides custom synthesis services for Calicheamicin alpha 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.