2-Amino-6-(1,2,3,4-tetrahydroxybutyl)-4(1H)-pteridinone; (1'S,2'S,3'R)-form 

AlkaPlorer ID: AK028926

Synonym: D-ribo-form 

IUPAC Name: 2-amino-6-(1,2,3,4-tetrahydroxybutyl)-3H-pteridin-4-one

Structure

SMILES: NC1=NC2=NC=C(C(O)C(O)C(O)CO)N=C2C(=O)N1

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InChI: InChI=1S/C10H13N5O5/c11-10-14-8-5(9(20)15-10)13-3(1-12-8)6(18)7(19)4(17)2-16/h1,4,6-7,16-19H,2H2,(H3,11,12,14,15,20)

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InChIKey: MOZNRKVCZZBIHM-UHFFFAOYSA-N

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Reference

PubChem CID: 135625321

CAS: 13392-23-9

COCONUT: CNP0333712

Source

Properties Information

Molecule Weight: 283.244

TPSA: 178.47

MolLogP: -2.9572000000000007

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information