| CAS Number | 881179-06-2 |
| Catalog Number | AG01EO07(AGN-PC-0VJ3YZ) |
| Chemical Name | α-2,3-sialyltransferase-IN-1 |
| IUPAC Name | 4-[(5R,8R,9R,10S,13R,14S)-3-(2-amino-3-carboxypropanoyl)oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI | InChI=1S/C28H45NO6/c1-16(4-9-24(30)31)20-7-8-21-19-6-5-17-14-18(35-26(34)23(29)15-25(32)33)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23H,4-15,29H2,1-3H3,(H,30,31)(H,32,33)/t16?,17-,18?,19+,20?,21+,22-,23?,27+,28-/m1/s1 |
| InChI Key | NUUCRVJEHQBAKP-MTRXUMESSA-N |
| MDL Number | MFCD31692399 |
| Molecular Formula | C28H45NO6 |
| Molecular Weight | 491.66 |
| SMILES | C[C@]12CC[C@]3([H])[C@]4(CC[C@@H](OC(=O)[C@H](N)CC(=O)O)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)O)C |
| Synonyms | Lith-O-Asp,
881179-02-8,
881179-06-2,
|A-2,3-sialyltransferase-IN-1,
|
| Complexity | 830 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 491.325g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 491.669g/mol |
| Monoisotopic Mass | 491.325g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number