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1,4-D-Xylobiose

CAT: 0926-OX05190-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-OX05190-01Size:25 mg
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CAS Number
6860-47-5
Synonyms
4-O- (b-D-Xylopyranosyl) -D-xylopyranose
MDL Number
MFCD00135984
Smiles
O ([C@@H] ([C@@H] ([C@H] (C=O) O) O) CO) [C@H]1[C@H] (O) [C@@H] (O) [C@H] (O) CO1
Molecular Formula
C10H18O9
Molecular Weight
282.25 g/mol
Controlled
No

Chemical Information

Xylobiose

xylobiose has been reported in Streptomyces ipomoeae and Streptomyces rameus with data available.

CAS Number6860-47-5
PubChem CID160873
IUPAC Name(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanal
Molecular FormulaC10H18O9
Molecular Weight282.24
XLogP-4.3
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity286
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O
InChI
InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1
InChIKey
SQNRKWHRVIAKLP-RSZZQXBVSA-N
Chemical Structure
2D Structure
2D structure of Xylobiose
CAS: 6860-47-5
CID: 160873
Formula: C10H18O9
MW: 282.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.24
XLogP3-4.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass282.09508215
Monoisotopic Mass282.09508215
Topological Polar Surface Area157 Ų
Heavy Atom Count19
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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