野桐酸
TL;DR: 野桐酸 (CAS 66369-82-2) is a chemical compound with molecular formula C34H26O23 and molecular weight 802.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
野桐酸
2-[[7,8,11,12,13,22,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-6-yl]oxy]-3,4,5-trihydroxybenzoic acid
Also Known As: Mallotinic acid, 2-({1,2,3,11,17,18,19-Heptahydroxy-5,14-dioxo-10-[(3,4,5-trihydroxybenzoyl)oxy]-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-16-yl}oxy)-3,4,5-trihydroxybenzoic acid
| Molecular Formula | C34H26O23 |
|---|---|
| Molecular Weight | 802.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 398.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 6 |
| Exact Mass | 802.0865 |
| Heavy Atoms | 57 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 66369-82-2 |
|---|---|
| SMILES | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)OC6=C(C(=C(C=C6C(=O)O)O)O)O)O |
| InChIKey | AJIFASHLGBHDDS-UHFFFAOYSA-N |
Product Overview
野桐酸 (CAS 66369-82-2), with molecular formula C34H26O23 and molecular weight 802.09 g/mol. IUPAC: 2-[[7,8,11,12,13,22,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-6-yl]oxy]-3,4,5-trihydroxybenzoic acid.
Chemical Property Profile of 野桐酸
Property Insights of 野桐酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 野桐酸. The TPSA of 398.0 Ų indicates high polarity, suggesting 野桐酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 野桐酸 has 14 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 野桐酸?
The CAS number of 野桐酸 is 66369-82-2.
What is the molecular formula of 野桐酸?
The molecular formula of 野桐酸 is C34H26O23.
What is the molecular weight of 野桐酸?
The molecular weight of 野桐酸 is 802.09 g/mol.
Where can I buy 野桐酸?
You can request a quote for 野桐酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 野桐酸?
Yes, KEHONG BIO provides custom synthesis services for 野桐酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.