3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside
TL;DR: 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside (CAS 38971-41-4) is a chemical compound with molecular formula C39H62O12 and molecular weight 722.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(1S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Ophiopogonin B, 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside, (14xi,25R)-3beta-Hydroxyspirost-5-en-1beta-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
| Molecular Formula | C39H62O12 |
|---|---|
| Molecular Weight | 722.42 g/mol |
| LogP | 2.3883 |
| Topological Polar Surface Area | 176.76 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 722.42413 |
| Heavy Atoms | 51 |
| Complexity | 1320.6266 |
Chemical Identifiers
| CAS Number | 38971-41-4 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C)OC1 |
Product Overview
3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside (CAS 38971-41-4), with molecular formula C39H62O12 and molecular weight 722.42 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(1S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside
Property Insights of 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside
The XLogP value of 2.3883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside. The TPSA of 176.76 Ų indicates high polarity, suggesting 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside has 6 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 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside?
The CAS number of 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside is 38971-41-4.
What is the molecular formula of 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside?
The molecular formula of 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside is C39H62O12.
What is the molecular weight of 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside?
The molecular weight of 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside is 722.42 g/mol.
Where can I buy 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside?
You can request a quote for 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.