SIALYL-LEWIS X

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0PS35WG8U3

Structure

InChI Key LAQPKDLYOBZWBT-NYLDSJSYSA-N
Smiles C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H52N2O23
Molecular Weight 820.3
AlogP -7.7
Hydrogen Bond Acceptor 22.0
Hydrogen Bond Donor 15.0
Number of Rotational Bond 18.0
Polar Surface Area 417.69
Heavy Atoms 56.0

Cross References

Resources Reference
CAS NUMBER 98603-84-0
NORMAN SUSDAT
FDA SRS 0PS35WG8U3
CONTENTS