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(1R,2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

(1R,2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

CAS: 3687-64-7

Formula: C12H22O11

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

IUPAC: (1R,2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

InChI: InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,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 N/A
Aromatic Ring Count 0
Asymmetric Atom Count 11
Exact Mass 342.116211528
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 9
InChIKey VCWMRQDBPZKXKG-BJBMSVMHSA-N
Lipinski's Rule of Five
Molar Refractivity 68.19
Topological Polar Surface Area 200.53
Polarizability 28.91
Ring Count 2
Rotatable Bond Count 3

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