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1,4-b-D-Mannotriose

CAT: 0926-OM31999-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-OM31999-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28173-52-6
Smiles
OCC1O[C@@H] (O[C@H]2[C@H] (O) C (O) [C@H] (O[C@H]3[C@H] (O) C (O) [C@H] (O) OC3CO) OC2CO) C (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C18H32O16
Molecular Weight
504.44 g/mol
Controlled
No

Chemical Information

D-mannose-O-beta-D-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl
CAS Number28173-52-6
PubChem CID3082284
IUPAC Name(2S,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal
Molecular FormulaC18H32O16
Molecular Weight504.4
XLogP-6.6
Topological Polar Surface Area277
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity625
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-5(23)9(24)16(34-18-15(30)13(28)11(26)7(3-21)32-18)8(4-22)33-17-14(29)12(27)10(25)6(2-20)31-17/h4-21,23-30H,1-3H2/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17+,18+/m1/s1
InChIKey
OXEVOBRQLSFMMV-WPNFGHGHSA-N
Chemical Structure
2D Structure
2D structure of D-mannose-O-beta-D-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl
CAS: 28173-52-6
CID: 3082284
Formula: C18H32O16
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP3-6.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass504.16903493
Monoisotopic Mass504.16903493
Topological Polar Surface Area277 Ų
Heavy Atom Count34
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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