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Nystose

CAT: 0127-OR1024046-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1024046-02Size:250 mg
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CAS Number
13133-07-8
Synonyms
(2R,3R,4S,5S,6R) -2-[ (2S,3S,4S,5R) -2-[[ (2R,3S,4S,5R) -2-[[ (2R,3S,4S,5R) -3,4-dihydroxy-2,5-bis (hydroxymethyl) oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5- (hydroxymethyl) oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5- (hydroxymethyl) oxolan-2-yl]oxy-6- (hydroxymethyl) oxane-3,4,5-triol
Purity
99%
Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O

Chemical Information

Nystose

Nystose is an oligosaccharide.

CAS Number13133-07-8
PubChem CID166775
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC24H42O21
Molecular Weight666.6
XLogP-7.4
Topological Polar Surface Area348
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count21
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity964
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O
InChI
InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1
InChIKey
FLDFNEBHEXLZRX-DLQNOBSRSA-N
Chemical Structure
2D Structure
2D structure of Nystose
CAS: 13133-07-8
CID: 166775
Formula: C24H42O21
MW: 666.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight666.6
XLogP3-7.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count21
Rotatable Bond Count13
Exact Mass666.22185834
Monoisotopic Mass666.22185834
Topological Polar Surface Area348 Ų
Heavy Atom Count45
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N1499-01Nystose
HY-N1499R-01Nystose (Standard)
TRC-N489153-250MGNystose Trihydrate

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