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6-Carboxysucrose

CAT: 0024-sc-504683Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-504683Size:10 mg
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CAS Number
133634-68-1

Chemical Information

GlyTouCan:G43036KG
CAS Number133634-68-1
PubChem CID156588306
IUPAC Name(3S,6R)-6-[(2S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC12H20O12
Molecular Weight356.28
XLogP-3.5
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity459
SMILES
C([C@@H]1C(C([C@](O1)(CO)O[C@@H]2C(C([C@@H](C(O2)C(=O)O)O)O)O)O)O)O
InChI
InChI=1S/C12H20O12/c13-1-3-4(15)9(19)12(2-14,23-3)24-11-7(18)5(16)6(17)8(22-11)10(20)21/h3-9,11,13-19H,1-2H2,(H,20,21)/t3-,4?,5?,6+,7?,8?,9?,11-,12+/m1/s1
InChIKey
QBJMYQBOZZDDJJ-RBNKDYLXSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G43036KG
CAS: 133634-68-1
CID: 156588306
Formula: C12H20O12
MW: 356.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.28
XLogP3-3.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass356.09547607
Monoisotopic Mass356.09547607
Topological Polar Surface Area207 Ų
Heavy Atom Count24
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-C182475-250MG6-Carboxysucrose
GC4378-1mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
BICL2356-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
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BICL2357-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
AAA76464-016,6,6-Trifluorohexanoic acid
H211306Hexanenitrile-6,6,6-d3
JH3398116,6,6-trideuteriohexanoic acid
TRC-S697002-5MGSucrose-1,1,6,6,6’,6’-d6
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