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2-C-Methyl-D-mannopyranose

CAT: 0926-MM168759-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-MM168759-01Size:1 mg
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CAS Number
27552-10-9
Synonyms
Methyl-D-mannopyranose
Smiles
COC1C (C (OC (C1O) O) CO) O
Molecular Formula
C7H14O6
Molecular Weight
194.18 g/mol
Controlled
No

Chemical Information

3-O-D-mannopyranose
CAS Number27552-10-9
PubChem CID13365329
IUPAC Name(3S,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
Molecular FormulaC7H14O6
Molecular Weight194.18
XLogP-2.1
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity163
SMILES
CO[C@H]1[C@@H]([C@H](OC([C@H]1O)O)CO)O
InChI
InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5+,6+,7?/m1/s1
InChIKey
SCBBSJMAPKXHAH-BWSJPXOBSA-N
Chemical Structure
2D Structure
2D structure of 3-O-D-mannopyranose
CAS: 27552-10-9
CID: 13365329
Formula: C7H14O6
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP3-2.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass194.07903816
Monoisotopic Mass194.07903816
Topological Polar Surface Area99.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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