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sodium [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanide

sodium [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanide

CAS: 42891-22-5

Formula: C6H11NaO5S

SMILES: [Na+].OC[C@H]1O[C@@H]([S-])[C@H](O)[C@@H](O)[C@H]1O

IUPAC: sodium [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanide

InChI: InChI=1S/C6H12O5S.Na/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6+;/m1./s1

Composition: C (33.03%), H (5.08%), Na (10.54%), O (36.66%), S (14.69%)

Molar Mass: 218.2

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 218.02248891
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 4
InChIKey VKPBZIVFRYLHPT-QEQWBAOXSA-M
Lipinski's Rule of Five 1
Molar Refractivity 42.89
Topological Polar Surface Area 90.15
Polarizability 17.65
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 42891-22-5 $181.13-$1,694.30$181.13$267.03$552.69$1,694.30
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