4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-
TL;DR: 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- (CAS 74545-40-7) is a chemical compound with molecular formula C27H32O15 and molecular weight 596.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]-2,3-dihydrochromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-, (2R,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]-2,3-dihydrochromen-4-one, (2R,3R)-5-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranoside, 5-[(6-Deoxyhexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl 6-deoxyhexopyranoside
| Molecular Formula | C27H32O15 |
|---|---|
| Molecular Weight | 596.17 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 596.17413 |
| Heavy Atoms | 42 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 74545-40-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=C(C2=O)C(=CC(=C3)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O |
| InChIKey | HNGQRZNIKUQHDQ-BWYOJBFMSA-N |
Product Overview
4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- (CAS 74545-40-7), with molecular formula C27H32O15 and molecular weight 596.17 g/mol. IUPAC: (2R,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]-2,3-dihydrochromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-
Property Insights of 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-
The XLogP value of -1.5 indicates that 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-?
The CAS number of 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- is 74545-40-7.
What is the molecular formula of 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-?
The molecular formula of 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- is C27H32O15.
What is the molecular weight of 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-?
The molecular weight of 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- is 596.17 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-?
You can request a quote for 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 3,5-bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.