[({[5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid sodium

• ChemBase ID: 133403
• Molecular Formular: C10H15N5NaO10P2
• Molecular Mass: 450.190892
• Monoisotopic Mass: 450.01918425
• SMILES: c1nc2c(n1C1CC(C(O1)COP(=O)(O)OP(=O)(O)O)O)[nH]c(nc2=O)N.[Na]
• Canonical SMILES: OC1CC(OC1COP(=O)(OP(=O)(O)O)O)n1cnc2c1[nH]c(N)nc2=O.[Na]
• InChI: InChI=1S/C10H15N5O10P2.Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20;/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)
• InChIKey: PSKKWCOCUAFUKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [({[5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid sodium
• IUPAC Traditional name: deoxyguanosine diphosphate sodium
• Synonyms: dGDP; 2′-Deoxyguanosine 5′-diphosphate sodium salt

Database IDs

• CAS Number: 102783-74-4
• MDL Number: MFCD00057075
• PubChem SID: 162227680; 24894274
• PubChem CID: 16219294

CALCULATED PROPERTIES

• H Donor: 6
• LogD (pH = 5.5): -6.2376804
• LogD (pH = 7.4): -6.962516
• Log P: -2.8331108
• Molar Refractivity: 84.4228 cm^3
• Polarizability: 33.160004 Å^3
• Polar Surface Area: 228.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false
• Acid pKa: 1.7121128
• H Acceptors: 12

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥90% (HPLC)

DETAILS

Sigma Aldrich - D9250

Application
2′-Deoxyguanosine 5′-diphosphate (dGDP) is used as a substrate of dGDP (nucleoside diphosphate) kinase (2.7.4.6) or pyruvate kinase to produce dGTP in support of DNA biosynthesis. dGDP is used as a substrate to study the kinetics of glycoprotein (gp) 1.7 expressed by bacteriophage T7.