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XuBP

CAT: 0013-GTR19210368-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210368-02Size:50 mg
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Description
XuBP
CAS Number
15565-46-5
Smiles
O[C@H] (COP (O) (O) =O) [C@H] (O) C (=O) COP (O) (O) =O
Molecular Formula
C5H12O11P2
Molecular Weight
310.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

D-Xylulose 1,5-diphosphate

D-xylulose 1,5-bisphosphate is a xylulose phosphate that is D-xylulose carrying two phospho groups at positions 1 and 5. It has a role as an EC 4.1.1.39 (ribulose-bisphosphate carboxylase) inhibitor. It is functionally related to a D-xylulose. It is a conjugate acid of a D-xylulose 1,5-bisphosphate(4-).

CAS Number15565-46-5
PubChem CID167298
IUPAC Name[(2R,3S)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate
Molecular FormulaC5H12O11P2
Molecular Weight310.09
XLogP-4.8
Topological Polar Surface Area191
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity368
SMILES
C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5+/m1/s1
InChIKey
YAHZABJORDUQGO-WUJLRWPWSA-N
Chemical Structure
2D Structure
2D structure of D-Xylulose 1,5-diphosphate
CAS: 15565-46-5
CID: 167298
Formula: C5H12O11P2
MW: 310.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.09
XLogP3-4.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass309.98548519
Monoisotopic Mass309.98548519
Topological Polar Surface Area191 Ų
Heavy Atom Count18
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T70447-01XuBP

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