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tert-butyl 4-[(benzyloxy)methyl]-2,2-dioxo-1,2??,3-oxathiazolidine-3-carboxylate

tert-butyl 4-[(benzyloxy)methyl]-2,2-dioxo-1,2??,3-oxathiazolidine-3-carboxylate

Formula: C15H21NO6S

SMILES: CC(C)(C)OC(=O)N1C(COCC2=CC=CC=C2)COS1(=O)=O

IUPAC: tert-butyl 4-[(benzyloxy)methyl]-2,2-dioxo-1,2??,3-oxathiazolidine-3-carboxylate

InChI: InChI=1/C15H21NO6S/c1-15(2,3)22-14(17)16-13(11-21-23(16,18)19)10-20-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3

Composition: C (52.47%), H (6.16%), N (4.08%), O (27.95%), S (9.34%)

Molar Mass: 343.39

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 343.108958574
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey SBDHXVMICOENAK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.04
Topological Polar Surface Area 82.14
Polarizability 33.73
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula UnitPrice
98% <10 Days C15H21NO6S Quote Only
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