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[3,4,5-tris(acetyloxy)-6-[(cyanomethyl)sulfanyl]oxan-2-yl]methyl acetate

[3,4,5-tris(acetyloxy)-6-[(cyanomethyl)sulfanyl]oxan-2-yl]methyl acetate

Formula: C16H21NO9S

SMILES: CC(=O)OCC1OC(SCC#N)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

IUPAC: [3,4,5-tris(acetyloxy)-6-[(cyanomethyl)sulfanyl]oxan-2-yl]methyl acetate

InChI: InChI=1/C16H21NO9S/c1-8(18)22-7-12-13(23-9(2)19)14(24-10(3)20)15(25-11(4)21)16(26-12)27-6-5-17/h12-16H,6-7H2,1-4H3

Composition: C (47.64%), H (5.25%), N (3.47%), O (35.69%), S (7.95%)

Molar Mass: 403.4

Atom Count: 48

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 403.093702434
Formal Charge 0
FSP3 0.69
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey ZNQCXCWNORCJGV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.61
Topological Polar Surface Area 138.22
Polarizability 36.48
Ring Count 1
Rotatable Bond Count 11

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98% <10 Days C16H21NO9S Quote Only
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