Bisphosphocin Nu-3
[(2R,3S,5R)-3-[butoxy(hydroxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butyl hydrogen phosphate
Molecular Identity
Bisphosphocin Nu-3
[(2R,3S,5R)-3-[butoxy(hydroxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butyl hydrogen phosphate
PubChem CID: 10279357
2D Structure
Properties
C18H32N2O11P2
Molecular Formula
514.40
Molecular Weight
g/mol
514.1481
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
170
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
821
Complexity
SMILES
Canonical SMILES
SMILES: CCCCOP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OCCCCIsomeric SMILES
SMILES: CCCCOP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OCCCCSynonyms(15)
Bisphosphocin nu-3Bisphosphocin nu3RefChem:199918nu-3Bisphosphocin (nu-3)403717-06-6UNII-8BK3483OW58BK3483OW53'-Thymidylic acid, monobutyl ester, 5'-(butyl hydrogen phosphate)SCHEMBL958510orb3174595CHEMBL4297360Q27270143[(2R,3S,5R)-3-[butoxy(hydroxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butyl hydrogen phosphate1-(3,5-BIS-O-(BUTOXYHYDROXYPHOSPHINYL)-2-DEOXY-D-ERYTHRO-PENTOFURANOSYL)-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bisphosphocin Nu-3
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