| CAS Number | 383160-13-2 |
| Catalog Number | AG00C9WT(AGN-PC-05J3TM) |
| Chemical Name | 4-Methylumbelliferyl 2-acetamido-2-deoxy-4-O-(a-L-fucopyranosyl)-b-D-glucopyranoside |
| IUPAC Name | N-[4-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide |
| InChI | InChI=1S/C24H31NO12/c1-9-6-16(28)35-14-7-12(4-5-13(9)14)34-23-17(25-11(3)27)19(30)22(15(8-26)36-23)37-24-21(32)20(31)18(29)10(2)33-24/h4-7,10,15,17-24,26,29-32H,8H2,1-3H3,(H,25,27) |
| InChI Key | BYBMNJSPCSQJCY-UHFFFAOYSA-N |
| MDL Number | MFCD01320427 |
| Molecular Formula | C24H31NO12 |
| Molecular Weight | 525.5024 |
| SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3ccc4C(=CC(=O)Oc4c3)C)[C@H](NC(=O)C)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O |
| Synonyms | Fuc1-alpha-4GlcNAc1-b-4MU,
383160-13-2,
Fuc1-|A-4GlcNAc1-b-4MU,
AC1NDBN3,
Fuc1-?-4GlcNAc1-b-4MU,
Fuc1- -4GlcNAc1-b-4MU,
CTK8F1235,
AKOS030255754,
RT-013061,
FT-0672312,
N-[4-hydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide,
CID4572870,
CID 4572870,
|
| Complexity | 869 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 525.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 525.507g/mol |
| Monoisotopic Mass | 525.185g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 194A^2 |
| Undefined Atom Stereocenter Count | 10 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number