Einecs 253-459-6
TL;DR: Einecs 253-459-6 (CAS 103289-04-9) is a chemical compound with molecular formula C30H58O13 and molecular weight 626.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;octadecanoic acid
Also Known As: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;octadecanoic acid, alpha-D-Glucopyranoside, beta-D-fructofuranosyl, octadecanoate, Octadecanoic acid--2,5-anhydro-5-(hydroxymethyl)undec-6-ulopyranose (1/1), (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid, Octadecanoic acid--2,5-anhydro-5-(hydroxymethyl)-alpha-D-gluco-D-manno-undec-6-ulopyranose (1/1)
| Molecular Formula | C30H58O13 |
|---|---|
| Molecular Weight | 626.39 g/mol |
| LogP | 0.3253 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 20 |
| Exact Mass | 626.38776 |
| Heavy Atoms | 43 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 103289-04-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O |
| InChIKey | JMHZOCSMYUPIPC-WVPFIOSPSA-N |
Product Overview
Einecs 253-459-6 (CAS 103289-04-9), with molecular formula C30H58O13 and molecular weight 626.39 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;octadecanoic acid.
Chemical Property Profile of Einecs 253-459-6
Property Insights of Einecs 253-459-6
The XLogP value of 0.3253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 253-459-6. The TPSA of 238.0 Ų indicates high polarity, suggesting Einecs 253-459-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 253-459-6 has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 253-459-6?
The CAS number of Einecs 253-459-6 is 103289-04-9.
What is the molecular formula of Einecs 253-459-6?
The molecular formula of Einecs 253-459-6 is C30H58O13.
What is the molecular weight of Einecs 253-459-6?
The molecular weight of Einecs 253-459-6 is 626.39 g/mol.
Where can I buy Einecs 253-459-6?
You can request a quote for Einecs 253-459-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 253-459-6?
Yes, KEHONG BIO provides custom synthesis services for Einecs 253-459-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.