[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane

C10H15FN2O7PS+ — CID 160760077

IUPAC[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane
SMILESC[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)[C@H]1O[P+](=O)O.S
InChIInChI=1S/C10H12FN2O7P.H2S/c1-4(14)7-8(20-21(17)18)6(11)9(19-7)13-3-2-5(15)12-10(13)16;/h2-4,6-9,14H,1H3,(H-,12,15,16,17,18);1H2/p+1/t4-,6?,7+,8+,9+;/m0./s1
InChIKeyUVLNVAPUJCIWHB-XDGHEMFESA-O
MW357.28 g/mol
LogP-0.70
Rot. Bonds4

About [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane

[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane (PubChem CID 160760077) has the molecular formula C10H15FN2O7PS+ and a molecular weight of 357.28 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane
PubChem CID160760077
Molecular FormulaC10H15FN2O7PS+
Molecular Weight357.28 g/mol
Exact Mass357.03
IUPAC Name[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane
SMILESC[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)[C@H]1O[P+](=O)O.S
InChIInChI=1S/C10H12FN2O7P.H2S/c1-4(14)7-8(20-21(17)18)6(11)9(19-7)13-3-2-5(15)12-10(13)16;/h2-4,6-9,14H,1H3,(H-,12,15,16,17,18);1H2/p+1/t4-,6?,7+,8+,9+;/m0./s1
InChIKeyUVLNVAPUJCIWHB-XDGHEMFESA-O
XLogP-0.70
TPSA130.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3S,5S)-5-[(1S)-1-hydroxyethyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 174080126
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59504113
1-[(2R,3R,4S,5S)-3-hydroxy-5-(1-hydroxyethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70848340
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57259416
1-[5-(dihydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145078336
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 101203363
1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118465861
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
1-[(2R,4S,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 159487979
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-hydroxyacetamide
CID 144796916
1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane?
The IUPAC name of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane (CID 160760077) is [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane.
What is the SMILES notation for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane?
The canonical SMILES for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane is C[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)[C@H]1O[P+](=O)O.S.
What is the InChIKey of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane?
The InChIKey is UVLNVAPUJCIWHB-XDGHEMFESA-O. The full InChI is InChI=1S/C10H12FN2O7P.H2S/c1-4(14)7-8(20-21(17)18)6(11)9(19-7)13-3-2-5(15)12-10(13)16;/h2-4,6-9,14H,1H3,(H-,12,15,16,17,18);1H2/p+1/t4-,6?,7+,8+,9+;/m0./s1.
What are the key properties of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane?
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane has a molecular weight of 357.28 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium;sulfane is sourced from PubChem (CID 160760077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).