(5S,6S)-2-amino-6-ammonio-4-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-1H-pyrimidin-1-ide

AlkaPlorer ID: AK096391

Synonym: None

IUPAC Name: 2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydro-1H-pyrimidin-6-one

Structure

SMILES: N=C1N=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(N)N1

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InChI: InChI=1S/C10H18N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-7,9,15-18H,1,11H2,(H3,12,13,14,19)/t2-,3-,4+,5-,6?,7?,9+/m1/s1

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InChIKey: OJXJYCZNYLAJJN-PEZDQLOGSA-N

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Reference

PubChem CID: 11968302

NPASS: NPC155049

Properties Information

Molecule Weight: 306.275

TPSA: 193.87

MolLogP: -4.049229999999996

Number of H-Donors: 8

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information