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6-{[3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS: 54328-33-5

Formula: C14H23NO15S

SMILES: CC(=O)NC1C(O)OC(CO)C(OS(O)(=O)=O)C1OC1OC(C(O)C(O)C1O)C(O)=O

IUPAC: 6-{[3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

InChI: InChI=1/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)

Composition: C (35.22%), H (4.86%), N (2.93%), O (50.27%), S (6.72%)

Molar Mass: 477.39

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass 477.078840219
Formal Charge 0
FSP3 0.86
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 8
InChIKey AVJBPWGFOQAPRH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 89.3
Topological Polar Surface Area 258.84
Polarizability 38.26
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 54328-33-5 $113.85-$542.80$113.85$188.60$542.80
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