Sibiricose A1
TL;DR: Sibiricose A1 (CAS 139726-40-2) is a chemical compound with molecular formula C23H32O15 and molecular weight 548.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Also Known As: Sibiricose A1, Arillanin C, Neohancoside D, HY-N8208, J1.132.737K
| Molecular Formula | C23H32O15 |
|---|---|
| Molecular Weight | 548.17 g/mol |
| LogP | -3.4085 |
| Topological Polar Surface Area | 234.29 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.17413 |
| Heavy Atoms | 38 |
| Complexity | 960.5561 |
Chemical Identifiers
| CAS Number | 139726-40-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O |
Product Overview
Sibiricose A1 (CAS 139726-40-2), with molecular formula C23H32O15 and molecular weight 548.17 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Sibiricose A1
Property Insights of Sibiricose A1
The XLogP value of -3.4085 indicates that Sibiricose A1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.29 Ų indicates high polarity, suggesting Sibiricose A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sibiricose A1 has 8 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 Sibiricose A1?
The CAS number of Sibiricose A1 is 139726-40-2.
What is the molecular formula of Sibiricose A1?
The molecular formula of Sibiricose A1 is C23H32O15.
What is the molecular weight of Sibiricose A1?
The molecular weight of Sibiricose A1 is 548.17 g/mol.
Where can I buy Sibiricose A1?
You can request a quote for Sibiricose A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sibiricose A1?
Yes, KEHONG BIO provides custom synthesis services for Sibiricose A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.