Chemical Component Summary

Name(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Identifiers(1~{S},2~{S},3~{S},4~{R},5~{R})-2-[(phenylmethyl)amino]-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
FormulaC19 H21 N O3 S
Molecular Weight343.44
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4
InChIInChI=1S/C19H21NO3S/c21-17-16(20-11-13-7-3-1-4-8-13)15-12-22-19(23-15)18(17)24-14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18-,19-/m1/s1
InChIKeyPZKNEARJFSZCKB-UJWQCDCRSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count5
Bond Count48
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 25314372