Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside
TL;DR: Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside (CAS 60454-77-5) is a chemical compound with molecular formula C39H62O13 and molecular weight 738.42 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,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(4S,5'R,6R,7S,8R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Funkioside C, Atroposide D, Capsicoside B3, Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside, (8xi,9xi,14xi,25R)-Spirost-5-en-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
| Molecular Formula | C39H62O13 |
|---|---|
| Molecular Weight | 738.42 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 738.41907 |
| Heavy Atoms | 52 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 60454-77-5 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | OBVNUYXMOLOYPW-SNOMKWOZSA-N |
Product Overview
Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside (CAS 60454-77-5), with molecular formula C39H62O13 and molecular weight 738.42 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(4S,5'R,6R,7S,8R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside
Property Insights of Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside. The TPSA of 197.0 Ų indicates high polarity, suggesting Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside?
The CAS number of Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside is 60454-77-5.
What is the molecular formula of Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside?
The molecular formula of Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside is C39H62O13.
What is the molecular weight of Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside?
The molecular weight of Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside is 738.42 g/mol.
Where can I buy Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside?
You can request a quote for Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.