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A-Methyl-D-mannoside

CAT: 0286-M21670-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
617-04-9
Synonyms
A-Methyl D-mannoside; Methyl a-D-mannoside
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00063262
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Methyl alpha-D-mannopyranoside

Methyl alpha-D-mannoside is a methyl mannoside having alpha-configuration at the anomeric centre. It is a methyl mannoside and an alpha-D-mannoside.

CAS Number617-04-9
PubChem CID101798
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
Molecular FormulaC7H14O6
Molecular Weight194.18
XLogP-2.2
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]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKey
HOVAGTYPODGVJG-VEIUFWFVSA-N
Chemical Structure
2D Structure
2D structure of Methyl alpha-D-mannopyranoside
CAS: 617-04-9
CID: 101798
Formula: C7H14O6
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP3-2.2
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 Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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