Nomilinic acid 17-O-beta-D-glucoside
TL;DR: Nomilinic acid 17-O-beta-D-glucoside (CAS 125107-15-5) is a chemical compound with molecular formula C34H48O16 and molecular weight 712.29425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2'S,3S,4aR,7R,8R,8aR)-8-[(1R)-1-acetyloxy-2-carboxyethyl]-3-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(2-hydroxypropan-2-yl)-3,4a,8-trimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid
Also Known As: Nomilinic acid glycoside, Nomilinic acid 17-O-beta-D-glucoside, Nomilinic acid 17-O-beta-D-glucopyranoside, Nomilinic acid 17-beta-D-glucopyranoside, Limonoic acid, 1-(acetyloxy)-1,4-deepoxy-19-deoxy-O17-beta-D-glucopyranosyl-4-hydroxy-
Technical Specifications
| Molecular Formula | C34H48O16 |
| Molecular Weight | 712.29425 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 263.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 712.29425 Da |
| Heavy Atoms | 50 |
| Complexity | 1350.0 |
| SMILES | CC(=O)O[C@H](CC(=O)O)[C@@]1([C@H]2CC[C@@](C3([C@@]2(C(=O)C[C@H]1C(C)(C)O)C)[C@H](O3)C(=O)O)(C)[C@H](C4=COC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C |
| InChIKey | MUZNNCNJBAPYJF-UNWTYGGYSA-N |
Chemical Property Profile of Nomilinic acid 17-O-beta-D-glucoside
Property Insights of Nomilinic acid 17-O-beta-D-glucoside
The XLogP value of -0.6 indicates that Nomilinic acid 17-O-beta-D-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 263.0 Ų indicates high polarity, suggesting Nomilinic acid 17-O-beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nomilinic acid 17-O-beta-D-glucoside has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nomilinic acid 17-O-beta-D-glucoside?
The CAS number of Nomilinic acid 17-O-beta-D-glucoside is 125107-15-5.
What is the molecular formula of Nomilinic acid 17-O-beta-D-glucoside?
The molecular formula of Nomilinic acid 17-O-beta-D-glucoside is C34H48O16.
What is the molecular weight of Nomilinic acid 17-O-beta-D-glucoside?
The molecular weight of Nomilinic acid 17-O-beta-D-glucoside is 712.29425 g/mol.
Where can I buy Nomilinic acid 17-O-beta-D-glucoside?
You can request a quote for Nomilinic acid 17-O-beta-D-glucoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nomilinic acid 17-O-beta-D-glucoside?
Yes, CoreyChem provides custom synthesis services for Nomilinic acid 17-O-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.