rebaudiosideB
TL;DR: rebaudiosideB (CAS 58543-17-2) is a chemical compound with molecular formula C38H60O18 and molecular weight 804.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5R,9S,13S)-13-[(2R,3S,4R,5S,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: rebaudiosideB, Rebaudioside B
| Molecular Formula | C38H60O18 |
|---|---|
| Molecular Weight | 804.38 g/mol |
| LogP | -2.3724 |
| Topological Polar Surface Area | 294.98 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 804.378 |
| Heavy Atoms | 56 |
| Complexity | 1448.7235 |
Chemical Identifiers
| CAS Number | 58543-17-2 |
|---|---|
| SMILES | C[C@@]12CCC[C@@](C1CC[C@]34C2CC[C@](C3)(C(=C)C4)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)(C)C(=O)O |
Product Overview
rebaudiosideB (CAS 58543-17-2), with molecular formula C38H60O18 and molecular weight 804.38 g/mol. IUPAC: (1R,5R,9S,13S)-13-[(2R,3S,4R,5S,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of rebaudiosideB
Property Insights of rebaudiosideB
The XLogP value of -2.3724 indicates that rebaudiosideB is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.98 Ų indicates high polarity, suggesting rebaudiosideB may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, rebaudiosideB has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of rebaudiosideB?
The CAS number of rebaudiosideB is 58543-17-2.
What is the molecular formula of rebaudiosideB?
The molecular formula of rebaudiosideB is C38H60O18.
What is the molecular weight of rebaudiosideB?
The molecular weight of rebaudiosideB is 804.38 g/mol.
Where can I buy rebaudiosideB?
You can request a quote for rebaudiosideB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rebaudiosideB?
Yes, KEHONG BIO provides custom synthesis services for rebaudiosideB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.