8-N<sub>3</sub> GTP|({[5-(2-amino-8-azido-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid|8-AZIDOGUANOSINE 5'-TRIPHOSPHATE TRIETHYL...

General Information

Structure

Molecular Formula

C₁₀H₁₅N₈O₁₄P₃

Molecular Mass

564.192583

Exact Mass

563.99205709

Charge

InChI

InChI=1S/C10H15N8O14P3/c11-9-14-6-3(7(21)15-9)13-10(16-17-12)18(6)8-5(20)4(19)2(30-8)1-29-34(25,26)32-35(27,28)31-33(22,23)24/h2,4-5,8,19-20H,1H2,(H,25,26)(H,27,28)(H2,22,23,24)(H3,11,14,15,21)

InChIKey

JOEORHHXHRXYIW-UHFFFAOYSA-N

Canonic Smiles

[N-]=[N+]=Nc1nc2c(n1C1OC(C(C1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)nc([nH]c2=O)N

Isomeric Smiles

Nc1nc2c(nc(N=[N+]=[N-])n2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1

Calculated Properties

JChem

Acid pKa

1.1435502

H Acceptors

H Donor

LogD (pH = 5.5)

-9.367853

LogD (pH = 7.4)

-10.103859

Log P

-2.824563

Molar Refractivity

107.0007

Polarizability

40.981506

Polar Surface Area

324.24

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

8-N₃ GTP8-AZIDOGUANOSINE 5'-TRIPHOSPHATE TRIETHYLAMMONIUM SALT

IUPAC Traditional name

({[5-(2-amino-8-azido-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

IUPAC name

({[({[5-(2-amino-8-azido-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Names and Identifiers

Registration numbers

PubChem CID

19387681

PubChem SID

162105365

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Condition