calyculin A
TL;DR: calyculin A (CAS 101932-71-2) is a chemical compound with molecular formula C50H81N4O15P and molecular weight 1008.5436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl)-9-[3-[2-[4-[[4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate
Also Known As: calyculin A, hemicalyculin A, Calyculin B, (-)-calyculin A, [(2R,3R,5R,7R,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate
Technical Specifications
| Molecular Formula | C50H81N4O15P |
| Molecular Weight | 1008.5436 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 287.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1008.5436 Da |
| Heavy Atoms | 70 |
| Complexity | 1930.0 |
| SMILES | CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O |
| InChIKey | FKAWLXNLHHIHLA-UHFFFAOYSA-N |
Product Description
Applications: calyculin A 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).
calyculin A is a fine chemical identified by CAS number 101932-71-2 and the molecular formula C50H81N4O15P and a molecular weight of 1008.54 g/mol. Synonyms include calyculin A and hemicalyculin A.
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 calyculin A
Property Insights of calyculin A
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for calyculin A. The TPSA of 287.0 Ų indicates high polarity, suggesting calyculin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, calyculin A has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of calyculin A?
The CAS number of calyculin A is 101932-71-2.
What is the molecular formula of calyculin A?
The molecular formula of calyculin A is C50H81N4O15P.
What is the molecular weight of calyculin A?
The molecular weight of calyculin A is 1008.5436 g/mol.
What are the applications of calyculin A?
calyculin A 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 calyculin A?
You can request a quote for calyculin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for calyculin A?
Yes, CoreyChem provides custom synthesis services for calyculin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.