disodium hydrate [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate

• ChemBase ID: 132309
• Molecular Formular: C6H13Na2O10P
• Molecular Mass: 322.114721
• Monoisotopic Mass: 322.00417181
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)([O-])[O-].O.[Na+].[Na+]
• Canonical SMILES: OC1O[C@H](COP(=O)([O-])[O-])[C@H]([C@@H]([C@H]1O)O)O.O.[Na+].[Na+]
• InChI: InChI=1S/C6H13O9P.2Na.H2O/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;;;/h2-10H,1H2,(H2,11,12,13);;;1H2/q;2*+1;/p-2/t2-,3-,4+,5-,6?;;;/m1.../s1
• InChIKey: UUWJZXLTPORJKW-WYFATIGWSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium hydrate [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
• IUPAC Traditional name: disodium hydrate D-glucopyranose 6-phosphate
• Synonyms: G-6-P-Na2; Robison ester; D-Glucose 6-phosphate disodium salt hydrate; D-Glucose 6-phosphate 二钠盐 水合物

Database IDs

• CAS Number: 3671-99-6
• EC Number: 222-938-1
• MDL Number: MFCD00150940
• Beilstein Number: 5199009
• PubChem SID: 24895297; 162226586
• PubChem CID: 16219438

CALCULATED PROPERTIES

• Acid pKa: 1.2229363
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): -5.498048
• LogD (pH = 7.4): -6.5882425
• Log P: -3.0561051
• Molar Refractivity: 44.5529 cm^3
• Polarizability: 19.553816 Å^3
• Polar Surface Area: 162.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98%
• Grade: Sigma Grade
• Quality Level: PREMIUM

DETAILS

Sigma Aldrich - G7250

包装
10 mg in autosmp vl
Quality
usually 2-4 H2O/mole