Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside
TL;DR: Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside (CAS 61877-94-9) is a chemical compound with molecular formula C39H63NO11 and molecular weight 721.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,10R,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside, (9xi)-Solanid-5-en-3-yl 3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
| Molecular Formula | C39H63NO11 |
|---|---|
| Molecular Weight | 721.44 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 721.4401 |
| Heavy Atoms | 51 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 61877-94-9 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CCC5[C@H]4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C |
| InChIKey | OCVQAFQRXHOFMV-YQMNFDKMSA-N |
Product Overview
Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside (CAS 61877-94-9), with molecular formula C39H63NO11 and molecular weight 721.44 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,10R,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside
Property Insights of Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside. The TPSA of 182.0 Ų indicates high polarity, suggesting Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside?
The CAS number of Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside is 61877-94-9.
What is the molecular formula of Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside?
The molecular formula of Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside is C39H63NO11.
What is the molecular weight of Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside?
The molecular weight of Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside is 721.44 g/mol.
Where can I buy Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside?
You can request a quote for Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Solanid-5-en-3-yl 3-O-hexopyranosylhexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.