![(7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate structure](/static/products/7715/77154-70-2.webp)
(7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
TL;DR: (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate (CAS 77154-70-2) is a chemical compound with molecular formula C27H28O18 and molecular weight 640.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
Also Known As: (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate, beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl O-beta-D-galactopyranosyl-, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl O-b-D-galactopyranosyl-b-D-glucopyranosiduronic acid, 7-Hydroxy-4-oxo-4H-1-benzopyran-3-yl (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate
| Molecular Formula | C27H28O18 |
|---|---|
| Molecular Weight | 640.13 g/mol |
| LogP | -3.7138 |
| Topological Polar Surface Area | 306.73 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 640.12756 |
| Heavy Atoms | 45 |
| Complexity | 1639.7004 |
Chemical Identifiers
| CAS Number | 77154-70-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[C@]2([C@H]([C@@H]([C@](O[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)(C(=O)OC4=COC5=C(C4=O)C=CC(=C5)O)O)O)O)O)O)O |
Product Overview
(7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate (CAS 77154-70-2), with molecular formula C27H28O18 and molecular weight 640.13 g/mol. IUPAC: (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate.
Chemical Property Profile of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
Property Insights of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
The XLogP value of -3.7138 indicates that (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 306.73 Ų indicates high polarity, suggesting (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate?
The CAS number of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate is 77154-70-2.
What is the molecular formula of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate?
The molecular formula of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate is C27H28O18.
What is the molecular weight of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate?
The molecular weight of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate is 640.13 g/mol.
Where can I buy (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate?
You can request a quote for (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.