disodium [5-(2-amino-6-hydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydrogen phosphonatooxy)phosphonate

• ChemBase ID: 103293
• Molecular Formular: C10H13N5Na2O11P2
• Molecular Mass: 487.164182
• Monoisotopic Mass: 486.98821808
• SMILES: [Na+].[Na+].Nc1nc2c(ncn2C2OC(COP(=O)([O-])OP(=O)(O)[O-])C(O)C2O)c(O)n1
• Canonical SMILES: OC1C(COP(=O)(OP(=O)(O)[O-])[O-])OC(C1O)n1cnc2c1nc(N)nc2O.[Na+].[Na+]
• InChI: InChI=1S/C10H15N5O11P2.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2
• InChIKey: LTZCGDIGAHOTKN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium [5-(2-amino-6-hydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydrogen phosphonatooxy)phosphonate
• IUPAC Traditional name: dipotassium [5-(2-amino-6-hydroxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphonatooxyphosphonate
• Synonyms: GDP; GUANOSINE-5'-DIPHOSPHATE

Database IDs

• PubChem SID: 162105816
• PubChem CID: 44134752

CALCULATED PROPERTIES

• Acid pKa: 1.8221197
• H Acceptors: 13
• H Donor: 5
• LogD (pH = 5.5): -6.617769
• LogD (pH = 7.4): -7.3041697
• Log P: -3.615531
• Molar Refractivity: 84.6249 cm^3
• Polarizability: 34.339855 Å^3
• Polar Surface Area: 258.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: ~98%

DETAILS

MP Biomedicals - 02151213

From Yeast
Disodium Salt
Purity: ~98%