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(3R,4S,5R,6R)-6-(hydroxymethyl)(3-¹³C)oxane-2,3,4,5-tetrol

(3R,4S,5R,6R)-6-(hydroxymethyl)(3-¹³C)oxane-2,3,4,5-tetrol

CAS: 105931-74-6

Formula: C6H12O6

SMILES: OC[C@H]1OC(O)[13C@H](O)[C@@H](O)[C@@H]1O

IUPAC: (3R,4S,5R,6R)-6-(hydroxymethyl)(3-¹³C)oxane-2,3,4,5-tetrol

InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i5+1

Composition: C (33.15%), [13C] (7.18%), H (6.68%), O (52.99%)

Molar Mass: 181.148

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 181.066742941
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 5
InChIKey WQZGKKKJIJFFOK-UKLRSMCWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.92
Topological Polar Surface Area 110.38
Polarizability 15.16
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 105931-74-6 $234.60-$508.30$234.60$335.80$508.30
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