disodium 1,5-dihydroxypentane-1,5-disulfonate

• ChemBase ID: 108895
• Molecular Formular: C5H10Na2O8S2
• Molecular Mass: 308.23764
• Monoisotopic Mass: 307.96124784
• SMILES: [Na+].[Na+].OC(CCCC(O)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: OC(S(=O)(=O)[O-])CCCC(S(=O)(=O)[O-])O.[Na+].[Na+]
• InChI: InChI=1S/C5H12O8S2.2Na/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13;;/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2
• InChIKey: YGZZDQOCTFVBFC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 1,5-dihydroxypentane-1,5-disulfonate
• IUPAC Traditional name: dipotassium 1,5-dihydroxypentane-1,5-disulfonate; disodium 1,5-dihydroxypentane-1,5-disulfonate
• Synonyms: GLUTARALDEHYDE bis SODIUM BISULFITE; Glutaraldehyde sodium bisulfite addition compound; 谷氨醛钠二硫混合物

Database IDs

• CAS Number: 7420-89-5; 28959-35-5
• EC Number: 231-043-5; 249-339-8
• MDL Number: MFCD00007517
• PubChem SID: 162095014; 24846828
• PubChem CID: 110991

CALCULATED PROPERTIES

• Acid pKa: -1.9333969
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): -6.5536647
• LogD (pH = 7.4): -6.553687
• Log P: -1.8008848
• Molar Refractivity: 46.1718 cm^3
• Polarizability: 20.738674 Å^3
• Polar Surface Area: 154.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Linear Formula: NaO3SCH(OH)(CH2)3CH(OH)SO3Na

DETAILS

MP Biomedicals - 05209138

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 108790

Packaging
50 g in poly bottle