Molecules/(2R,3R,4S,5R,13R,14R,15R,16R)-24-amino-8,10-dihydroxy-8,10-dioxo-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraene-3,4,14,15-tetrol

(2R,3R,4S,5R,13R,14R,15R,16R)-24-amino-8,10-dihydroxy-8,10-dioxo-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraene-3,4,14,15-tetrol

C15H22N5O13P2+542.31 g/molCID 11987894

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Molecular Identity

(2R,3R,4S,5R,13R,14R,15R,16R)-24-amino-8,10-dihydroxy-8,10-dioxo-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraene-3,4,14,15-tetrol

PubChem CID: 11987894

2D Structure

Properties

C₁₅H₂₂N₅O₁₃P₂+

Molecular Formula

542.31

Molecular Weight

g/mol

542.0689

Exact Mass

-5.7

XLogP

Drug-like (Lipinski: < 5)

262

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

905

Complexity

SMILES

Canonical SMILES

SMILES: C1C2C(C(C(O2)N3C=NC4=C3N=C[N+](=C4N)C5C(C(C(O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O

Isomeric SMILES

SMILES: C1[C@@H]2[C@@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C[N+](=C4N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O

Synonyms(1)

CXR

Data from PubChem (NCBI)

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Molecular Structure

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Source: PubChem

Drug Network

Trials and conditions connected to (2R,3R,4S,5R,13R,14R,15R,16R)-24-amino-8,10-dihydroxy-8,10-dioxo-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraene-3,4,14,15-tetrol

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