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sodium 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonate

sodium 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonate

CAS: 91000-53-2

Formula: C7H16NNaO6S

SMILES: [Na+].OCC(CO)(CO)NCCCS([O-])(=O)=O

IUPAC: sodium 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonate

InChI: InChI=1S/C7H17NO6S.Na/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14;/h8-11H,1-6H2,(H,12,13,14);/q;+1/p-1

Composition: C (31.70%), H (6.08%), N (5.28%), Na (8.67%), O (36.19%), S (12.09%)

Molar Mass: 265.26

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 265.05960269
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 4
InChIKey FEGYIWVHCSRXCG-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 51.56
Topological Polar Surface Area 129.92
Polarizability 21.76
Ring Count 0
Rotatable Bond Count 8

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Purity LeadTime CAS UnitPrice
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98% <7 Days 91000-53-2 $37.74-$368.22$37.74$122.40$368.22
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