4704-18-1
(2S,3R,4R,5S,6R)-(6-(acetoxymethyl)-3-isothiocyanatotetrahydro-2H-pyran-2,4,5-triyl)triacetate
Name(2S,3R,4R,5S,6R)-(6-(acetoxymethyl)-3-isothiocyanatotetrahydro-2H-pyran-2,4,5-triyl)triacetate
1Identification
【Name】
(2S,3R,4R,5S,6R)-(6-(acetoxymethyl)-3-isothiocyanatotetrahydro-2H-pyran-2,4,5-triyl)triacetate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H16NO9S
【MolWeight】
386.354
【Inchi】
InChI=1S/C15H19NO9S/c1-7(17)24-5-11-8(2-12(18)19)9(3-13(20)21)15(16-6-26)10(25-11)4-14(22)23/h8-11,15H,2-5H2,1H3,(H,18,19)(H,20,21)(H,22,23)/p-3/t8-,9+,10-,11-,15+/m0/s1
【InChIKey】
InChIKey=DWAQAFDXMQVQRN-XVRCYRPSSA-K
【SMILES】
C(C)(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CC(=O)[O-])N=C=S)CC(=O)[O-])CC(=O)[O-]
【MOL File】
(2S,3R,4R,5S,6R)-(6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(2S,3R,4R,5S,6R)-(6-(acetoxymethyl)-3-isothiocyanatotetrahydro-2H-pyran-2,4,5-triyl)triacetate.cml