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4484-88-2

4484-88-2 Structure

4484-88-2 Structure
IdentificationBack Directory
[Name]

[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxyphosphonic acid
[CAS]

4484-88-2
[Synonyms]

Trehalose 6-phosphate
α-D-Glucopyranoside, α-D-glucopyranosyl, 6-(dihydrogen phosphate)
[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxyphosphonic acid
[Molecular Formula]

C12H23O14P
[MDL Number]

MFCD18643313
[MOL File]

4484-88-2.mol
[Molecular Weight]

422.28
Chemical PropertiesBack Directory
[Boiling point ]

789.7±70.0 °C(Predicted)
[density ]

1.89±0.1 g/cm3(Predicted)
[pka]

1.86±0.10(Predicted)
[InChI]

InChI=1S/C12H23O14P/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)
[InChIKey]

LABSPYBHMPDTEL-UHFFFAOYSA-N
[SMILES]

O(P(O)(O)=O)CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1
Hazard InformationBack Directory
[Uses]

α,α-Trehalose 6-phosphate is an intermediate in the synthesis of Trehalose 6-Phosphate Dipotassium Salt (T718715), an intermediate in the synthesis of D-(+)-Trehalose (T718750), a disaccharide composed of two α-glucose units. D-(+)-Trehalose is used in many processed foods as well as in biopharmaceutical monoclonal antibody formulations. When plants’ sugar levels are low, they reduce their investment in fatty acid synthesis. Trehalose 6-phoshate (T6P) regulates oil synthesis in plants. (Chem. and Eng. News p. 9 Oct. 1, (2018))
[Definition]

ChEBI: Alpha,alpha-trehalose 6-phosphate is a trehalose phosphate. It has a role as an Escherichia coli metabolite. It is functionally related to an alpha,alpha-trehalose. It is a conjugate acid of an alpha,alpha-trehalose 6-phosphate(2-).
[IC 50]

Human Endogenous Metabolite
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