1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione

C10H14FN2O6P — CID 134595189

IUPAC1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESC[C@@H](O[C@H](COP=O)[C@@H](O)CF)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14FN2O6P/c1-6(13-3-2-9(15)12-10(13)16)19-8(5-18-20-17)7(14)4-11/h2-3,6-8,14H,4-5H2,1H3,(H,12,15,16)/t6-,7+,8-/m1/s1
InChIKeySBHPJBOEQNKZAV-GJMOJQLCSA-N
MW308.20 g/mol
LogP-0.01
Rot. Bonds8

About 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione

1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione (PubChem CID 134595189) has the molecular formula C10H14FN2O6P and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
PubChem CID134595189
Molecular FormulaC10H14FN2O6P
Molecular Weight308.20 g/mol
Exact Mass308.06
IUPAC Name1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESC[C@@H](O[C@H](COP=O)[C@@H](O)CF)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14FN2O6P/c1-6(13-3-2-9(15)12-10(13)16)19-8(5-18-20-17)7(14)4-11/h2-3,6-8,14H,4-5H2,1H3,(H,12,15,16)/t6-,7+,8-/m1/s1
InChIKeySBHPJBOEQNKZAV-GJMOJQLCSA-N
XLogP-0.01
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-[(1R)-2-bromo-1-[(1S,2R)-1-bromo-1-hydroxy-3-phosphorosooxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 126647682
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
CID 6991759
1-[1-(1-hydroxy-5-sulfanylpentan-2-yl)oxyethyl]pyrimidine-2,4-dione
CID 142535865
1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
CID 144582240
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
ethane;1-[1-(6-sulfanylhexan-3-yloxy)ethyl]pyrimidine-2,4-dione
CID 156889949
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
[(3R)-3-acetyloxy-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluoro-2-(fluoromethyl)butyl] acetate
CID 134251432

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione (CID 134595189) is 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione is C[C@@H](O[C@H](COP=O)[C@@H](O)CF)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The InChIKey is SBHPJBOEQNKZAV-GJMOJQLCSA-N. The full InChI is InChI=1S/C10H14FN2O6P/c1-6(13-3-2-9(15)12-10(13)16)19-8(5-18-20-17)7(14)4-11/h2-3,6-8,14H,4-5H2,1H3,(H,12,15,16)/t6-,7+,8-/m1/s1.
What are the key properties of 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione?
1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione has a molecular weight of 308.20 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 134595189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).