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3-[(tert-butoxycarbonyl)amino]propane-1-sulfonic acid

3-[(tert-butoxycarbonyl)amino]propane-1-sulfonic acid

CAS: 918825-10-2

Formula: C8H17NO5S

SMILES: CC(C)(C)OC(=O)NCCCS(O)(=O)=O

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}propane-1-sulfonic acid

InChI: InChI=1S/C8H17NO5S/c1-8(2,3)14-7(10)9-5-4-6-15(11,12)13/h4-6H2,1-3H3,(H,9,10)(H,11,12,13)

Composition: C (40.16%), H (7.16%), N (5.85%), O (33.43%), S (13.40%)

Molar Mass: 239.29

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 239.082743825
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey XUOPCLRTJSMNFU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.34
Topological Polar Surface Area 92.7
Polarizability 22.16
Ring Count 0
Rotatable Bond Count 6

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95% <7 Days 918825-10-2 $283.59$283.59
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