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Xylotriose

CAT: 0572-TRC-X750405-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-X750405-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
47592-59-6
Synonyms
O-β-D-Xylopyranosyl-(1→4)-O-β-D-xylopyranosyl-(1→4)-D-xylose
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)C(O)OC3)OC2)OC1
Molecular Formula
C15H26O13
Molecular Weight
414.36
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

GlyTouCan:G07637SS
CAS Number47592-59-6
PubChem CID91873341
IUPAC Name(3R,4S,5R)-2-[(4S,5S,6R)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
Molecular FormulaC15H26O13
Molecular Weight414.36
XLogP-5.6
Topological Polar Surface Area208
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity508
SMILES
C1[C@H]([C@@H]([C@H](C(O1)OC2CO[C@@H]([C@H]([C@@H]2O)O)O[C@@H]3COC([C@@H]([C@H]3O)O)O)O)O)O
InChI
InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6?,7+,8+,9-,10-,11-,12+,13?,14?,15-/m1/s1
InChIKey
JCSJTDYCNQHPRJ-QZPPXLSYSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G07637SS
CAS: 47592-59-6
CID: 91873341
Formula: C15H26O13
MW: 414.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.36
XLogP3-5.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass414.13734088
Monoisotopic Mass414.13734088
Topological Polar Surface Area208 Ų
Heavy Atom Count28
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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N2856-10Xylotriose
461436-01Octaacetyl Xylotriose
OX31985-011,4-β-D-Xylotriose
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297885-011,4-b-D-Xylotriose

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