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

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

CAS: 14152-97-7

Formula: C15H19NO9S

SMILES: CC(=O)OC[C@H]1O[C@@H](N=C=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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

InChI: InChI=1S/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1

Composition: C (46.27%), H (4.92%), N (3.60%), O (36.98%), S (8.23%)

Molar Mass: 389.38

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 389.07805237
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey WOWNQYXIQWQJRJ-UXXRCYHCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.6
Topological Polar Surface Area 126.79
Polarizability 35.54
Ring Count 1
Rotatable Bond Count 10

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Purity LeadTime CAS UnitPrice
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