| CAS Number | 262856-89-3 |
| Catalog Number | AG00BE4U(AGN-PC-0R271Q) |
| Chemical Name | Heptadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside |
| IUPAC Name | [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-heptadecoxyoxan-2-yl]methyl acetate |
| InChI | InChI=1S/C31H55NO9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-37-31-28(32-23(2)33)30(40-26(5)36)29(39-25(4)35)27(41-31)22-38-24(3)34/h27-31H,6-22H2,1-5H3,(H,32,33)/t27-,28-,29-,30-,31-/m1/s1 |
| InChI Key | VJUYUJJXKXZILI-JQWMYKLHSA-N |
| MDL Number | MFCD08703741 |
| Molecular Formula | C31H55NO9 |
| Molecular Weight | 585.7697 |
| SMILES | CCCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
| Synonyms | 262856-89-3,
Heptadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside,
C31H55NO9,
ZINC100054447,
W0559,
W-202122,
Heptadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside,
Heptadecyl-2-(acetylamino)-2-deoxy-3,4,6-triacetate-I(2)-D-Glucopyranoside,
Heptadecyl 2-(Acetylamino)-2-deoxy-beta-D-glucopyranoside 3,4,6-triacetate,
|
| Complexity | 760 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 585.388g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 585.779g/mol |
| Monoisotopic Mass | 585.388g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number