[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-(methylsulfanyl)oxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-(methylsulfanyl)oxan-2-yl]methyl acetate

CAS: 64550-71-6

Formula: C15H22O9S

SMILES: CS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

IUPAC: [(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-(methylsulfanyl)oxan-2-yl]methyl acetate

InChI: InChI=1S/C15H22O9S/c1-7(16)20-6-11-12(21-8(2)17)13(22-9(3)18)14(23-10(4)19)15(24-11)25-5/h11-15H,6H2,1-5H3/t11-,12-,13+,14+,15-/m1/s1

Composition: C (47.61%), H (5.86%), O (38.05%), S (8.47%)

Molar Mass: 378.39

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	378.098453462
Formal Charge	0
FSP3	0.73
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	XWFUCHLBRWBKGN-NIFZNCRKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.4
Topological Polar Surface Area	114.43
Polarizability	34.74
Ring Count	1
Rotatable Bond Count	10

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