靛榄糖苷酸
TL;DR: 靛榄糖苷酸 (CAS 27741-01-1) is a chemical compound with molecular formula C16H22O10 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
靛榄糖苷酸
7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Also Known As: Geniposidic acid, Geniposidic acid [M+H]+, 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid, (1S,4aS,7aS)-1-(beta-D-Glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-cyclopenta[c]pyran-4-carboxylic acid, (1S,4aS,7aS)-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
| Molecular Formula | C16H22O10 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1213 |
| Heavy Atoms | 26 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 27741-01-1 |
|---|---|
| SMILES | C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO |
| InChIKey | ZJDOESGVOWAULF-UHFFFAOYSA-N |
Product Overview
靛榄糖苷酸 (CAS 27741-01-1), with molecular formula C16H22O10 and molecular weight 374.12 g/mol. IUPAC: 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of 靛榄糖苷酸
Property Insights of 靛榄糖苷酸
The XLogP value of -2.7 indicates that 靛榄糖苷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 靛榄糖苷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 靛榄糖苷酸 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 靛榄糖苷酸?
The CAS number of 靛榄糖苷酸 is 27741-01-1.
What is the molecular formula of 靛榄糖苷酸?
The molecular formula of 靛榄糖苷酸 is C16H22O10.
What is the molecular weight of 靛榄糖苷酸?
The molecular weight of 靛榄糖苷酸 is 374.12 g/mol.
Where can I buy 靛榄糖苷酸?
You can request a quote for 靛榄糖苷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 靛榄糖苷酸?
Yes, KEHONG BIO provides custom synthesis services for 靛榄糖苷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.