D-Cellobiose | SBID = 377 | Compound | Pubchem logo

Struc Structure

Download Image

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 190.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -4.7
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 8.0
Number of H-Bond Acceptors: 11.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 10.0
3D Volume/Å3: 230.7
Sum Formula: C12H22O11
M / g/mol: 342.297
Complexity: 382.0
Number of Conformers: 10.0

Identifiers

  • Tags:
  • Name: D-Cellobiose
  • Preferred Abbreviation: D-Cellobiose
  • IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
  • CAS: 528-50-7
  • CID: 10712
  • InChiKey: GUBGYTABKSRVRQ-QRZGKKJRSA-N
  • 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
  • CanoSmiles: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
  • IsoSmiles: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O