石榴苷
TL;DR: 石榴苷 (CAS 65995-64-4) is a chemical compound with molecular formula C34H22O22 and molecular weight 782.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
石榴苷
3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone
Also Known As: Punicalin, 4,6-Gallagylglucose, Punicalin [M+H]+, 4,6-Gallagyl-D-glucose, tridecahydroxy[?]tetrone
| Molecular Formula | C34H22O22 |
|---|---|
| Molecular Weight | 782.06 g/mol |
| LogP | 0.0152 |
| Topological Polar Surface Area | 385.24 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 0 |
| Exact Mass | 782.0603 |
| Heavy Atoms | 56 |
| Complexity | 2870.2617 |
Chemical Identifiers
| CAS Number | 65995-64-4 |
|---|---|
| SMILES | C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O |
Product Overview
石榴苷 (CAS 65995-64-4), with molecular formula C34H22O22 and molecular weight 782.06 g/mol. IUPAC: 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone.
Chemical Property Profile of 石榴苷
Property Insights of 石榴苷
The XLogP value of 0.0152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 石榴苷. The TPSA of 385.24 Ų indicates high polarity, suggesting 石榴苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 石榴苷 has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 石榴苷?
The CAS number of 石榴苷 is 65995-64-4.
What is the molecular formula of 石榴苷?
The molecular formula of 石榴苷 is C34H22O22.
What is the molecular weight of 石榴苷?
The molecular weight of 石榴苷 is 782.06 g/mol.
Where can I buy 石榴苷?
You can request a quote for 石榴苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 石榴苷?
Yes, KEHONG BIO provides custom synthesis services for 石榴苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.