Glycerol kinase

C₅₀H₈₄N₂Na₂O₁₂CAS 9030-66-4951.20 g/mol

Open in Covalent MOL file

Alcohol Alkene Amide Carboxylic acid Ester

Properties

Molecular formula: C₅₀H₈₄N₂Na₂O₁₂
Molar mass: 951.20 g/mol
Exact mass: 950.5820 Da
logP: 0.71Crippen estimate
Polar surface area: 231.5 Å²
H-bond donors / acceptors: 4 / 12
Rotatable bonds: 40

Hazards

Danger

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P271, P284, P304+P340, P342+P316, P403, P501

Identifiers

CAS number

9030-66-4

SMILES

CC(CCCC=CCCCCCCCC=CCCCC(=O)NC(CC(=O)[O-])C(=O)[O-])O.CC(CCCC=CCCCCCCCC=CCCCC(=O)NC(CC(=O)OC)C(=O)OC)O.[Na+].[Na+]

InChIKey

HPVCEKVBRPBYCK-UHFFFAOYSA-L

InChI

InChI=1S/C26H45NO6.C24H41NO6.2Na/c1-22(28)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-24(29)27-23(26(31)33-3)21-25(30)32-2;1-20(26)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22(27)25-21(24(30)31)19-23(28)29;;/h11-14,22-23,28H,4-10,15-21H2,1-3H3,(H,27,29);9-12,20-21,26H,2-8,13-19H2,1H3,(H,25,27)(H,28,29)(H,30,31);;/q;;2*+1/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Kinase (phosphorylating), glycerol
E.C. 2.7.1.30
Glyceric kinase
Glycerokinase
EC 2.7.1.30
Glycerol phosphotransferase
GYK 311
Glycerin kinase
Glycerol kinases
Glycerokinases

Work with Glycerol kinase

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium pyroglutamate28874-51-335 % similar Sodium N-lauroylglutamate29923-31-735 % similar Sodium stearoyl glutamate38517-23-635 % similar N-Myristoyl-L-glutamic acid sodium salt38517-37-235 % similar Sodium 3-hydroxybutyrate150-83-434 % similar Sodium 3-hydroxybutyrate306-31-034 % similar Sodium ricinoleate5323-95-533 % similar Methyl (-)-3-hydroxybutyrate3976-69-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook