Lactosyl isothiocyanate
TL;DR: Lactosyl isothiocyanate (CAS 106848-83-3) is a chemical compound with molecular formula C13H21NO10S and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Lactosyl isothiocyanate, LITC, Lactose isothiocyanate, (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 4-O-Hexopyranosyl-N-(sulfanylidenemethylidene)hexopyranosylamine
| Molecular Formula | C13H21NO10S |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.08862 |
| Heavy Atoms | 25 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 106848-83-3 |
|---|---|
| SMILES | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)N=C=S)CO)O)O)O)O |
| InChIKey | ZBRBEHIGVFMFAH-LTEQSDMASA-N |
Product Overview
Lactosyl isothiocyanate (CAS 106848-83-3), with molecular formula C13H21NO10S and molecular weight 383.09 g/mol. IUPAC: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Lactosyl isothiocyanate
Property Insights of Lactosyl isothiocyanate
The XLogP value of -2.7 indicates that Lactosyl isothiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting Lactosyl isothiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lactosyl isothiocyanate has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lactosyl isothiocyanate?
The CAS number of Lactosyl isothiocyanate is 106848-83-3.
What is the molecular formula of Lactosyl isothiocyanate?
The molecular formula of Lactosyl isothiocyanate is C13H21NO10S.
What is the molecular weight of Lactosyl isothiocyanate?
The molecular weight of Lactosyl isothiocyanate is 383.09 g/mol.
Where can I buy Lactosyl isothiocyanate?
You can request a quote for Lactosyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lactosyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Lactosyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.