Calyculin C
TL;DR: Calyculin C (CAS 107537-45-1) is a chemical compound with molecular formula C51H83N4O15P and molecular weight 1022.55927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(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,4R)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]pentan-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 C, Calyculin, [(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,4R)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]pentan-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, ((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,4R)-4-(((2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl)amino)pentan-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, [(2R,3R,5R,7R,8S,9S)-3-[(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,4R)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]pentan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-1,1,8-trimethyl-4,10-dioxaspiro[4.5]decan-2-yl] dihydrogen phosphate
Technical Specifications
| Molecular Formula | C51H83N4O15P |
| Molecular Weight | 1022.55927 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 287.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1022.55927 Da |
| Heavy Atoms | 71 |
| Complexity | 1960.0 |
| SMILES | C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=C\C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)C[C@@H](C)NC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O |
| InChIKey | MDHVPFKPZGGNLB-KWKPKXEISA-N |
Product Description
Applications: Calyculin C is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Calyculin C (CAS 107537-45-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, Calyculin C (CAS 107537-45-1) has the molecular formula C51H83N4O15P and a molecular weight of 1022.56 g/mol. It is also known as Calyculin C and Calyculin.
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 C
Property Insights of Calyculin C
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calyculin C. The TPSA of 287.0 Ų indicates high polarity, suggesting Calyculin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calyculin C 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 C?
The CAS number of Calyculin C is 107537-45-1.
What is the molecular formula of Calyculin C?
The molecular formula of Calyculin C is C51H83N4O15P.
What is the molecular weight of Calyculin C?
The molecular weight of Calyculin C is 1022.55927 g/mol.
What are the applications of Calyculin C?
Calyculin C is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Calyculin C (CAS 107537-45-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy Calyculin C?
You can request a quote for Calyculin C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calyculin C?
Yes, CoreyChem provides custom synthesis services for Calyculin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.