CAS 57-04-5|(3-hydroxy-2-oxopropoxy)phosphonic acid|1,3-Dihydroxyacetonephosphate|DHAP|3-hydroxy-2-oxopropyl phosphate|DHAP|Dihydroxyacetone phosphate|1-hydroxy-3-(phosphonooxy)-2-Propanone|dihydrox...

General Information

Structure

Molecular Formula

C₃H₇O₆P

Molecular Mass

170.057841

Exact Mass

169.99802457

Charge

InChI

InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)

InChIKey

GNGACRATGGDKBX-UHFFFAOYSA-N

Canonic Smiles

OCC(=O)COP(=O)(O)O

Isomeric Smiles

OCC(=O)COP(=O)(O)O

Calculated Properties

JChem

LogD (pH = 7.4)

-5.21

LogD (pH = 5.5)

-4.10

Log P

-1.65

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

1.19

Polar Surface Area

104.06

Polarizability

12.64

Molar Refractivity

30.47

LOG S

1.32

Data Source

Academic Data

668

Data Source

Names and Identifiers

Synonyms

1,3-DihydroxyacetonephosphateDHAP3-hydroxy-2-oxopropyl phosphate1,3-Dihydroxyacetone 1-phosphate1-hydroxy-3-(phosphonooxy)acetone1-hydroxy-3-(phosphonooxy)-2-PropanoneDihydroxyacetone phosphate1,3-Dihydroxy-2-propanone monodihydrogen phosphateGlycerone phosphatedihydroxyacetone 3-phosphateDihydroxyacetone monophosphate1,3-Dihydroxy-2-propanone phosphate2-Propanone, 1-hydroxy-3-(phosphonooxy)-glycerone monophosphatedihydroxyacetone phosphate

IUPAC Traditional name

DHAP dihydroxyacetone phosphate

IUPAC name

(3-hydroxy-2-oxopropoxy)phosphonic acid

Names and Identifiers

Registration numbers

PubChem CID

668

PubChem SID

160967364465073598145644

PubMed Citation Links