Molecules/propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

C22H30N3O9PS543.50 g/molCID 56932509

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Molecular Identity

propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

PubChem CID: 56932509

2D Structure

Properties

C₂₂H₃₀N₃O₉PS

Molecular Formula

543.50

Molecular Weight

g/mol

543.1440

Exact Mass

1.7

XLogP

Drug-like (Lipinski: < 5)

188

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

913

Complexity

SMILES

Canonical SMILES

SMILES: CC(C)OC(=O)C(C)NP(=S)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)O)O)OC3=CC=CC=C3

Isomeric SMILES

SMILES: C[C@@H](C(=O)OC(C)C)NP(=S)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)O)O)OC3=CC=CC=C3

Synonyms(3)

VX-135SCHEMBL790409CHEMBL4783446

Data from PubChem (NCBI)

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Molecular Structure

propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

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2D molecular structure of propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

Source: PubChem

Drug Network

Trials and conditions connected to propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

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