disodium 2-(phosphonatooxy)propane-1,3-diol pentahydrate

• ChemBase ID: 102740
• Molecular Formular: C3H17Na2O11P
• Molecular Mass: 306.113781
• Monoisotopic Mass: 306.03038656
• SMILES: O.O.O.O.O.[Na+].[Na+].OCC(CO)OP(=O)([O-])[O-]
• Canonical SMILES: OCC(OP(=O)([O-])[O-])CO.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/C3H9O6P.2Na.5H2O/c4-1-3(2-5)9-10(6,7)8;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;5*1H2/q;2*+1;;;;;/p-2
• InChIKey: PEMUISUYOHQFQH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2-(phosphonatooxy)propane-1,3-diol pentahydrate
• IUPAC Traditional name: dipotassium glycerol 2-phosphate pentahydrate; disodium glycerol 2-phosphate pentahydrate
• Synonyms: Disodium β-glycerol phosphate; GLYCEROPHOSPHATE DISODIUM SALT PENTAHYDRATE; Disodium β-glycerol phosphate pentahydrate; β-Glycerol phosphate disodium salt pentahydrate; β-GLYCEROPHOSPHATE DISODIUM SALT PENTAHYDRATE

Database IDs

• CAS Number: 819-83-0; 13408-09-8
• EC Number: 212-464-3
• MDL Number: MFCD00149083
• Beilstein Number: 3744328
• PubChem SID: 162089075; 24873029
• PubChem CID: 2735049

CALCULATED PROPERTIES

• Acid pKa: 1.1346252
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.4191055
• LogD (pH = 7.4): -5.5677385
• Log P: -1.9625801
• Molar Refractivity: 29.1456 cm^3
• Polarizability: 12.625253 Å^3
• Polar Surface Area: 112.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless
• Melting Point: 96-98°C

Safety Information

• Storage Condition: 2-8°C
• RTECS: UA0600000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (NT)
• Impurities: ≤2% L-α-glycerol phosphate
• Loss on Drying: 26-32% loss on drying
• Empirical Formula (Hill Notation): C3H7Na2O6P · 5H2O

DETAILS

MP Biomedicals - 02102893

Disodium Salt
Crystalline
Pentahydrate
Usually contains 50% β-isomer and50% DL -α-isomer. Suitable for use in the Bodansky phosphatase procedure.

MP Biomedicals - 02195206

Disodium Salt
Pentahydrate
_L -α-isomer impurity 1% maximum. Suitable for the Bodansky phosphatase procedure.

Sigma Aldrich - 50020

Other Notes
Substrate for myo-inositol-1-phosphatase from bovine brain1
Application
β-Glycerolphosphate (Glycerol-2-Phosphate) is used in the development of hydrogels and scaffolds that have applications in tissue engineering and cell growth and differentiation.