Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 31st, 2013 |
0 |
Yes
|
Other Names:
"Dihydroxyacetone, 98%"
1,1-dihydroxy-2-propanone
1,1-dihydroxypropan-2-one
1,3-Dihydroxy acetone
1,3-Dihydroxy-2-propanone
1,3-Dihydroxy-2-propanone; 1,3-Dihydroxyacetone; 1,3-Dihydroxydimethyl ketone; 1,3-Dihydroxypropan-2-one; 1,3-Dihydroxypropanone; 2-Propanone, 1,3-dihydroxy; 2-Propanone, 1,3-dihydroxy-; AI3-24477; BRN 1740268; Chromelin; DIHYDROXY ACETONE; Dihydroxyaceto
1,3-Dihydroxy-2-propanone; 1,3-Dihydroxyacetone; 1,3-Dihydroxydimethyl ketone; 1,3-Dihydroxypropan-2-one; 1,3-Dihydroxypropanone; a,a'-Dihydroxyacetone; Aliphatic ketone; Bis(hydroxymethyl) ketone; Chromelin; dihydroxy-acetone; Dihydroxyacetone; Dihyxal
1,3-Dihydroxy-2-propanone; 1,3-Dihydroxyacetone; 1,3-Dihydroxydimethyl ketone; 1,3-Dihydroxypropanone; 2-Propanone, 1,3-dihydroxy; 2-Propanone, 1,3-dihydroxy-; AI3-24477; BRN 1740268; CCRIS 4899; Chromelin; Dihydroxyacetone; Dihyxal; EINECS 202-494-5; LS-
1,3-Dihydroxy-2-propanone; 1,3-Dihydroxyacetone; 1,3-Dihydroxypropan-2-one; 96-26-4; C00184; Dihydroxyacetone; Glycerone
1,3-Dihydroxy-2-propanone;1,3-Dihydroxyacetone;1,3-Dihydroxydimethyl ketone;1,3-Dihydroxypropan-2-one;1,3-Dihydroxypropanone;a,a'-Dihydroxyacetone;Aliphatic ketone;Bis(hydroxymethyl) ketone;Chromelin;Dihydroxy-acetone;Dihydroxyacetone;Dihyxal;Glycerone;Ke
1,3-Dihydroxyacetone dimer
1,3-dihydroxyacetone; 96-26-4; dihydroxy-acetone; dihydroxyacetone; glycerone
1,3-Dihydroxydimethyl ketone; 1,3-Dihydroxypropanone; 1,3-propanediol-2-one; Bis(hydroxymethyl) ketone; DHA; alpha,alpha'-dihydroxyacetone; glycerone
1,3-Dihydroxypropan-2-one
96-26-4; Chromelin (TN); D07841; Dihydroxyacetone (USP)
Bis(hydroxymethyl) ketone
CHEBI:39809; CHEBI:5453; CHEBI:14340; CHEBI:24354
Chromelin
Dihydroxyacetone
Dihydroxyacetone (USP)
Dihyxal
glycerone
MFCD00004670
NA
NSC 24343
O
Otan
Oxantin
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
-1.78 |
-2.51 |
-14.88 |
2 |
3 |
0 |
58 |
90.078 |
2 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| ALOGPS_SOLUBILITY |
8.38e+02 g/l |
DrugBank-experimental |
| Purity |
95% |
Fluorochem |
| UniProt Database Links |
ACP_VIBMA; ADAS_CAEEL; ADAS_CAVPO; ADAS_DICDI; ADAS_DROME; ADAS_HUMAN; ADAS_MOUSE; ADAS_RAT; ADAS_TRYBB; ADHS_METJA; ALDCA_DANRE; ALDCB_DANRE; ALDOA_GADMO; ALDOA_HUMAN; ALDOA_MOUSE; ALDOA_PANTR; ALDOA_PONAB; ALDOA_RABIT; ALDOA_RAT; ALDOA_SALSA; ALDOA_THUA |
ChEBI |
| Patent Database Links |
EP1422213; EP1698325; EP1752450; EP1810659; US2002052465; US2003082756; US2007180630; US2008171004; US2008194684; US2008275106; WO2006002105 |
ChEBI |
No pre-computed analogs available. Try a structural similarity search.
