59367-09-8
ALPHA-NEURAMINIC ACID, N-ACETYL-2-CHLORO-2-DEOXY-, METHYL ESTER, 4,7,8,9-TETRAACETATE
NameALPHA-NEURAMINIC ACID, N-ACETYL-2-CHLORO-2-DEOXY-, METHYL ESTER, 4,7,8,9-TETRAACETATE
1Identification
【Name】
ALPHA-NEURAMINIC ACID, N-ACETYL-2-CHLORO-2-DEOXY-, METHYL ESTER, 4,7,8,9-TETRAACETATE
【CAS】
【MDL】
MFCD13184726
【English Synonyms】
【Formula】
C19 H26 Cl N O12
【MolWeight】
495.862
【Inchi】
InChI=1S/C19H26ClNO12/c1-8(22)21-15-13(30-10(3)24)6-19(20,18(27)28)33-17(15)16(32-12(5)26)14(31-11(4)25)7-29-9(2)23/h13-17H,6-7H2,1-5H3,(H,21,22)(H,27,28)/t13-,14+,15+,16+,17+,19+/m0/s1
【InChIKey】
InChIKey=XVXLPHBXADHTER-DWYCWXKBSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)O)Cl)OC(=O)C
【MOL File】
ALPHA-NEURAMINIC ACI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:13
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-NEURAMINIC ACID, N-ACETYL-2-CHLORO-2-DEOXY-, METHYL ESTER, 4,7,8,9-TETRAACETATE.cml