2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine

2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine

Names
IUPAC name (2-Amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate
Other names Pteridine diphosphate
Identifiers
CAS Number	3545-84-4
3D model (Jmol)	Interactive image Interactive image Interactive image
3DMet	B01792
Beilstein Reference	8397629
ChEBI	CHEBI:15998
ChEMBL	ChEMBL1229984
ChemSpider	646
KEGG	C04807
MeSH	2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine
PubChem	666
InChI InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13) Key: FCQGJGLSOWZZON-UHFFFAOYSA-N InChI=1/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13) Key: FCQGJGLSOWZZON-UHFFFAOYAR
SMILES NC1=NC(=O)C2=C(NCC(COP(O)(=O)OP(O)(O)=O)=N2)N1 C1C(=NC2=C(N1)NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O O=P(O)(O)OP(=O)(O)OCC/1=N/C=2C(=O)\N=C(/NC=2NC\1)N
Properties
Chemical formula	C7H11N5O8P2
Molar mass	355.14 g·mol^−1
log P	-2.915
Acidity (pKa)	1.252
Basicity (pKb)	12.745
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine (7,8-Dihydropterin pyrophosphate, dihydropterin-CH2OH-diphosphate) is a pteridine.

References