trisodium ({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate

• ChemBase ID: 132433
• Molecular Formular: C10H13N5Na3O13P3
• Molecular Mass: 573.126513
• Monoisotopic Mass: 572.94157823
• SMILES: c1nc2c(=O)[nH]c(nc2n1[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)N.[Na+].[Na+].[Na+]
• Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])n1cnc2c1nc(N)[nH]c2=O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C10H16N5O13P3.3Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20;;;/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17);;;/q;3*+1/p-3/t4-,5+,6+;;;/m0.../s1
• InChIKey: IWGGLKOTEOCWQP-BIHLCPNHSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium ({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate
• IUPAC Traditional name: trisodium dGTP trianion
• Synonyms: dGTP-Na3; 2′-Deoxyguanosine 5′-triphosphate trisodium salt solution; 2′-脱氧鸟苷 5′-三磷酸 三钠盐

Database IDs

• CAS Number: 93919-41-6
• EC Number: 300-026-5
• MDL Number: MFCD00080337
• PubChem SID: 162226710; 24893919
• PubChem CID: 16219240

CALCULATED PROPERTIES

• Acid pKa: 0.81591356
• H Acceptors: 13
• H Donor: 4
• LogD (pH = 5.5): -9.423954
• LogD (pH = 7.4): -10.183291
• Log P: -2.7602963
• Molar Refractivity: 92.364 cm^3
• Polarizability: 37.431458 Å^3
• Polar Surface Area: 283.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

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: ≥99%
• Concentration: 10 mM in H2O; 100 mM (pH 7)
• Foreign Activity: DNase, RNase, NICKase, none detected; DNase, RNase, none detected
• Shipped in: dry ice

DETAILS

Sigma Aldrich - D5038

Application
2′-Deoxyguanosine 5′-triphosphate trisodium salt is utilized for methods such as DNA sequencing, PCR and other DNA polymerase based DNA synthesis and repair techniques.
Biochem/physiol Actions
2′-Deoxyguanosine 5′-triphosphate is used in vivo synthesis for the synthesis of DNA via DNA polymerases.

Sigma Aldrich - D7170

Application
2′-Deoxyguanosine 5′-triphosphate trisodium salt is utilized for methods such as DNA sequencing, PCR and other DNA polymerase based DNA synthesis and repair techniques.
Biochem/physiol Actions
2′-Deoxyguanosine 5′-triphosphate is used in vivo synthesis for the synthesis of DNA via DNA polymerases.