[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

AlkaPlorer ID: AK473974

Synonym: None

IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

Structure

SMILES: N=C1N=C(O)C2=C(N1)N([C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@]3(CO)OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]1O)C=N2

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InChI: InChI=1S/C16H25N5O16P2/c17-15-19-12-7(13(28)20-15)18-4-21(12)14-10(26)9(25)6(35-14)2-34-38(29,30)37-39(31,32)36-16(3-22)11(27)8(24)5(23)1-33-16/h4-6,8-11,14,22-27H,1-3H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t5-,6-,8-,9-,10-,11+,14-,16-/m1/s1

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InChIKey: NZGNDDIZKFLDTC-BVWNRDTFSA-N

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Source

Properties Information

Molecule Weight: 605.3430000000003

TPSA: 332.71

MolLogP: -4.384229999999994

Number of H-Donors: 11

Number of H-Acceptors: 18

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information