Pedunculagin I
TL;DR: Pedunculagin I (CAS 113866-64-1) is a chemical compound with molecular formula C34H24O22 and molecular weight 784.0759 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8,9,12,13,14,20,28,29,30,33,34,35-tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
Also Known As: Pedunculagin, Pedunculagin I, tridecahydroxy[?]tetrone, 7,8,9,12,13,14,20,28,29,30,33,34,35-Tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone, 1,2,3,7,13,14,15,16,17,18,25,26,27-Tridecahydroxy-6a,7,8a,9,21a,21b-hexahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecine-5,11,20,23-tetraone
Technical Specifications
| Molecular Formula | C34H24O22 |
| Molecular Weight | 784.0759 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 377.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 0 |
| Exact Mass | 784.0759 Da |
| Heavy Atoms | 56 |
| Complexity | 1510.0 |
| SMILES | C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O |
| InChIKey | IYMHVUYNBVWXKH-UHFFFAOYSA-N |
Product Description
Applications: Pedunculagin I is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pedunculagin I (CAS 113866-64-1) 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, Pedunculagin I (CAS 113866-64-1) has the molecular formula C34H24O22 and a molecular weight of 784.08 g/mol. It is also known as Pedunculagin and Pedunculagin I.
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 Pedunculagin I
Property Insights of Pedunculagin I
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pedunculagin I. The TPSA of 377.0 Ų indicates high polarity, suggesting Pedunculagin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pedunculagin I has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pedunculagin I?
The CAS number of Pedunculagin I is 113866-64-1.
What is the molecular formula of Pedunculagin I?
The molecular formula of Pedunculagin I is C34H24O22.
What is the molecular weight of Pedunculagin I?
The molecular weight of Pedunculagin I is 784.0759 g/mol.
What are the applications of Pedunculagin I?
Pedunculagin I is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pedunculagin I (CAS 113866-64-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Pedunculagin I?
You can request a quote for Pedunculagin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pedunculagin I?
Yes, CoreyChem provides custom synthesis services for Pedunculagin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.