Lacto-N-triose I
TL;DR: Lacto-N-triose I (CAS 73110-31-3) is a chemical compound with molecular formula C20H35NO16 and molecular weight 545.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Also Known As: Lacto-N-triose I, lacto-n-triaose, Lacto-N-triose II, Lacto-N-triose cento, GlyTouCan:G48162LJ
| Molecular Formula | C20H35NO16 |
|---|---|
| Molecular Weight | 545.20 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 278.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.19556 |
| Heavy Atoms | 37 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 73110-31-3 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O)CO)O)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O |
| InChIKey | CJOPBLPCFAQCNO-NJGGIFKPSA-N |
Product Overview
Lacto-N-triose I (CAS 73110-31-3), with molecular formula C20H35NO16 and molecular weight 545.20 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.
Chemical Property Profile of Lacto-N-triose I
Property Insights of Lacto-N-triose I
The XLogP value of -5.8 indicates that Lacto-N-triose I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 278.0 Ų indicates high polarity, suggesting Lacto-N-triose I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lacto-N-triose I has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lacto-N-triose I?
The CAS number of Lacto-N-triose I is 73110-31-3.
What is the molecular formula of Lacto-N-triose I?
The molecular formula of Lacto-N-triose I is C20H35NO16.
What is the molecular weight of Lacto-N-triose I?
The molecular weight of Lacto-N-triose I is 545.20 g/mol.
Where can I buy Lacto-N-triose I?
You can request a quote for Lacto-N-triose I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lacto-N-triose I?
Yes, KEHONG BIO provides custom synthesis services for Lacto-N-triose I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.