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α, α-Trehalose 6-phosphate potassium

CAT: 0607-A9937-1Size: 1 mgDry Ice: NoHazardous: No
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Description
A glycometabolic intermediate
CAS Number
136632-28-5
Product Name Alternative
Potassium ((2R,3S,4S,5R,6R) -3,4,5-trihydroxy-6- (((2R,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) tetrahydro-2H-pyran-2-yl) methyl phosphate
Purity
0.98
Solubility
Soluble in DMSO
Smiles
O[C@H] ([C@@H] (O) [C@H] (O) [C@@H] (COP (O[K]) (O[K]) =O) O1) [C@H]1O[C@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O
Molecular Formula
C12H21K2O14P
Molecular Weight
498.46
Storage Conditions
Store at -20°C

Chemical Information

trehalose 6-phosphate dipotassium salt
CAS Number136632-28-5
PubChem CID132285186
IUPAC Namedipotassium;[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl phosphate
Molecular FormulaC12H21K2O14P
Molecular Weight498.46
Topological Polar Surface Area242
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity517
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O)O)O)O.[K+].[K+]
InChI
InChI=1S/C12H23O14P.2K/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22;;/h3-19H,1-2H2,(H2,20,21,22);;/q;2*+1/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;;/m1../s1
InChIKey
YKCUKYNZTFYPHM-PVXXTIHASA-L
Chemical Structure
2D Structure
2D structure of trehalose 6-phosphate dipotassium salt
CAS: 136632-28-5
CID: 132285186
Formula: C12H21K2O14P
MW: 498.46
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.46
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass497.9943053
Monoisotopic Mass497.9943053
Topological Polar Surface Area242 Ų
Heavy Atom Count29
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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