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(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol

(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol

CAS: 14641-93-1

Formula: C12H22O11

SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O

IUPAC: (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol

InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9+,10+,11+,12+/m1/s1

Composition: C (42.11%), H (6.48%), O (51.41%)

Molar Mass: 342.297

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names ?-lactose
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass 342.116211528
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 8
InChIKey GUBGYTABKSRVRQ-XLOQQCSPSA-N
Lipinski's Rule of Five
Molar Refractivity 68.34
Topological Polar Surface Area 189.53
Polarizability 28.97
Ring Count 2
Rotatable Bond Count 4

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