Oleanane, beta-D-galactopyranoside deriv.
TL;DR: Oleanane, beta-D-galactopyranoside deriv. (CAS 146519-04-2) is a chemical compound with molecular formula C49H82O19 and molecular weight 974.55 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,4S,5S,6R)-2-[[(4R,4aR,6aR,6bS,8R,8aS,12aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Oleanane, beta-D-galactopyranoside deriv., (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(4R,4aR,6aR,6bS,8R,8aS,12aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Galactopyranoside, (3beta,4alpha,11alpha,16alpha)-16,23,28-trihydroxy-11-methoxyolean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-6-deoxy-, Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(4-(4-phenyl-1-piperazinyl)butyl)-
| Molecular Formula | C49H82O19 |
|---|---|
| Molecular Weight | 974.55 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 307.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 974.54504 |
| Heavy Atoms | 68 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 146519-04-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3[C@@H](C=C5[C@]4(C[C@H]([C@@]6([C@H]5CC(CC6)(C)C)CO)O)C)OC)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O |
| InChIKey | OZPOGANASPSVJC-UWJQEIADSA-N |
Product Overview
Oleanane, beta-D-galactopyranoside deriv. (CAS 146519-04-2), with molecular formula C49H82O19 and molecular weight 974.55 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(4R,4aR,6aR,6bS,8R,8aS,12aS,14R,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Oleanane, beta-D-galactopyranoside deriv.
Property Insights of Oleanane, beta-D-galactopyranoside deriv.
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oleanane, beta-D-galactopyranoside deriv.. The TPSA of 307.0 Ų indicates high polarity, suggesting Oleanane, beta-D-galactopyranoside deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oleanane, beta-D-galactopyranoside deriv. has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oleanane, beta-D-galactopyranoside deriv.?
The CAS number of Oleanane, beta-D-galactopyranoside deriv. is 146519-04-2.
What is the molecular formula of Oleanane, beta-D-galactopyranoside deriv.?
The molecular formula of Oleanane, beta-D-galactopyranoside deriv. is C49H82O19.
What is the molecular weight of Oleanane, beta-D-galactopyranoside deriv.?
The molecular weight of Oleanane, beta-D-galactopyranoside deriv. is 974.55 g/mol.
Where can I buy Oleanane, beta-D-galactopyranoside deriv.?
You can request a quote for Oleanane, beta-D-galactopyranoside deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oleanane, beta-D-galactopyranoside deriv.?
Yes, KEHONG BIO provides custom synthesis services for Oleanane, beta-D-galactopyranoside deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.