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D-Glucal

CAT: 0926-MG04732-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-MG04732-03Size:100 g
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CAS Number
13265-84-4
MDL Number
MFCD09039277
Smiles
C1=CO[C@@H] ([C@H] ([C@@H]1O) O) CO
Molecular Formula
C6H10O4
Molecular Weight
146.14 g/mol
Controlled
No

Chemical Information

D-(+)-Glucal
CAS Number13265-84-4
PubChem CID2734736
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
Molecular FormulaC6H10O4
Molecular Weight146.14
XLogP-1
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity134
SMILES
C1=CO[C@@H]([C@H]([C@@H]1O)O)CO
InChI
InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
InChIKey
YVECGMZCTULTIS-PBXRRBTRSA-N
Chemical Structure
2D Structure
2D structure of D-(+)-Glucal
CAS: 13265-84-4
CID: 2734736
Formula: C6H10O4
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass146.05790880
Monoisotopic Mass146.05790880
Topological Polar Surface Area69.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes