Gomphrenin-V
TL;DR: Gomphrenin-V (CAS 16955-52-5) is a chemical compound with molecular formula C34H34N2O16 and molecular weight 726.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
Also Known As: Gomphrenin-V, Gomphrenin V, (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate, (1E,2S)-1-{(2E)-2-[(2S)-2,6-Dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5-hydroxy-6-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-2,3-dihydro-1H-indol-1-ium-2-carboxylate
| Molecular Formula | C34H34N2O16 |
|---|---|
| Molecular Weight | 726.19 g/mol |
| LogP | -1.7198 |
| Topological Polar Surface Area | 284.91 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 726.19086 |
| Heavy Atoms | 52 |
| Complexity | 1884.168 |
Chemical Identifiers
| CAS Number | 16955-52-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C4C[C@H]([N+](=C/C=C/5\C[C@H](NC(=C5)C(=O)O)C(=O)O)C4=C3)C(=O)[O-])O)O)O)O)O |
Product Overview
Gomphrenin-V (CAS 16955-52-5), with molecular formula C34H34N2O16 and molecular weight 726.19 g/mol. IUPAC: (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate.
Chemical Property Profile of Gomphrenin-V
Property Insights of Gomphrenin-V
The XLogP value of -1.7198 indicates that Gomphrenin-V is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 284.91 Ų indicates high polarity, suggesting Gomphrenin-V may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gomphrenin-V has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gomphrenin-V?
The CAS number of Gomphrenin-V is 16955-52-5.
What is the molecular formula of Gomphrenin-V?
The molecular formula of Gomphrenin-V is C34H34N2O16.
What is the molecular weight of Gomphrenin-V?
The molecular weight of Gomphrenin-V is 726.19 g/mol.
Where can I buy Gomphrenin-V?
You can request a quote for Gomphrenin-V directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gomphrenin-V?
Yes, KEHONG BIO provides custom synthesis services for Gomphrenin-V and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.