2-Amino-6-(hydroxymethyl)-4(1H)-pteridinone; O-[4-O-Methyl-α-D-glucuronopyranosyl-(1→6)-β-D-galactopyranoside] 

AlkaPlorer ID: AK285931

Synonym: Cyanopterin

IUPAC Name: None

Structure

SMILES: COC1C(C(=O)O)OC(OCC2OC(OCC3=CN=C4NC(N)=NC(=O)C4=N3)C(O)C(O)C2O)C(O)C1O

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InChI: InChI=1S/C20H27N5O13/c1-34-13-10(28)12(30)19(38-14(13)17(32)33)36-4-6-8(26)9(27)11(29)18(37-6)35-3-5-2-22-15-7(23-5)16(31)25-20(21)24-15/h2,6,8-14,18-19,26-30H,3-4H2,1H3,(H,32,33)(H3,21,22,24,25,31)

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InChIKey: DNTFJPPHHBQLIY-UHFFFAOYSA-N

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Reference

CAS: 223532-84-1

Properties Information

Molecule Weight: 545.4580000000002

TPSA: 282.15

MolLogP: -4.8175999999999926

Number of H-Donors: 8

Number of H-Acceptors: 16

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information