dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate

C50H74Cl4K2N8O20 — CID 157063189

IUPACdipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate
SMILESCCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1C.CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1C.CC[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CO.C[C@H]1[C@@H](Cl)[C@H](n2ccc(=O)[nH]c2=O)OC1(CO)CO.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/2C13H19ClN2O3.2C11H15ClN2O5.CH2O3.CH4O.2K.H/c2*1-4-13(5-2)8(3)10(14)11(19-13)16-7-6-9(17)15-12(16)18;1-6-8(12)9(19-11(6,4-15)5-16)14-3-2-7(17)13-10(14)18;1-2-11(5-15)8(17)7(12)9(19-11)14-4-3-6(16)13-10(14)18;2-1-4-3;1-2;;;/h2*6-8,10-11H,4-5H2,1-3H3,(H,15,17,18);2-3,6,8-9,15-16H,4-5H2,1H3,(H,13,17,18);3-4,7-9,15,17H,2,5H2,1H3,(H,13,16,18);1,3H;2H,1H3;;;/q;;;;;;2*+1;-1/p-1/t2*8-,10+,11+;6-,8+,9+;7-,8+,9-,11-;;;;;/m0001...../s1
InChIKeyYDGOWLXAGSVEJT-KYZKNCJGSA-M
MW1327.19 g/mol
LogP-5.89
Rot. Bonds13

About dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate

dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate (PubChem CID 157063189) has the molecular formula C50H74Cl4K2N8O20 and a molecular weight of 1327.19 g/mol. Its IUPAC name is dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate.

Molecular Properties

Compound Namedipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate
PubChem CID157063189
Molecular FormulaC50H74Cl4K2N8O20
Molecular Weight1327.19 g/mol
Exact Mass1324.30
IUPAC Namedipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate
SMILESCCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1C.CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1C.CC[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CO.C[C@H]1[C@@H](Cl)[C@H](n2ccc(=O)[nH]c2=O)OC1(CO)CO.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/2C13H19ClN2O3.2C11H15ClN2O5.CH2O3.CH4O.2K.H/c2*1-4-13(5-2)8(3)10(14)11(19-13)16-7-6-9(17)15-12(16)18;1-6-8(12)9(19-11(6,4-15)5-16)14-3-2-7(17)13-10(14)18;1-2-11(5-15)8(17)7(12)9(19-11)14-4-3-6(16)13-10(14)18;2-1-4-3;1-2;;;/h2*6-8,10-11H,4-5H2,1-3H3,(H,15,17,18);2-3,6,8-9,15-16H,4-5H2,1H3,(H,13,17,18);3-4,7-9,15,17H,2,5H2,1H3,(H,13,16,18);1,3H;2H,1H3;;;/q;;;;;;2*+1;-1/p-1/t2*8-,10+,11+;6-,8+,9+;7-,8+,9-,11-;;;;;/m0001...../s1
InChIKeyYDGOWLXAGSVEJT-KYZKNCJGSA-M
XLogP-5.89
TPSA406.87 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001327.19
LogP ≤ 5-5.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate with MolForge

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Related Compounds

1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 126759274
(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-3-methyloxolane-2-carbaldehyde
CID 126759252
1-[(3R,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 126502403
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121431962
1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 159954430
[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 126759269
1-[(2R,5R)-5-(chloromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 175627372
1-[(3aS,6R,6aR)-4,4-bis(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]pyrimidine-2,4-dione
CID 102238466
1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
CID 140703890
1-[(2R,3R,4R,5R)-5-ethoxy-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118191352
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 155681101
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 510970

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate?
The IUPAC name of dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate (CID 157063189) is dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate.
What is the SMILES notation for dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate?
The canonical SMILES for dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate is CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1C.CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1C.CC[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O.CO.C[C@H]1[C@@H](Cl)[C@H](n2ccc(=O)[nH]c2=O)OC1(CO)CO.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate?
The InChIKey is YDGOWLXAGSVEJT-KYZKNCJGSA-M. The full InChI is InChI=1S/2C13H19ClN2O3.2C11H15ClN2O5.CH2O3.CH4O.2K.H/c2*1-4-13(5-2)8(3)10(14)11(19-13)16-7-6-9(17)15-12(16)18;1-6-8(12)9(19-11(6,4-15)5-16)14-3-2-7(17)13-10(14)18;1-2-11(5-15)8(17)7(12)9(19-11)14-4-3-6(16)13-10(14)18;2-1-4-3;1-2;;;/h2*6-8,10-11H,4-5H2,1-3H3,(H,15,17,18);2-3,6,8-9,15-16H,4-5H2,1H3,(H,13,17,18);3-4,7-9,15,17H,2,5H2,1H3,(H,13,16,18);1,3H;2H,1H3;;;/q;;;;;;2*+1;-1/p-1/t2*8-,10+,11+;6-,8+,9+;7-,8+,9-,11-;;;;;/m0001...../s1.
What are the key properties of dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate?
dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate has a molecular weight of 1327.19 g/mol, XLogP of -5.89, 13 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-[(2R,3R,4R)-3-chloro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;bis(1-[(2R,3R,4R)-3-chloro-5,5-diethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione);1-[(2R,3R,4R,5R)-3-chloro-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydride;methanol;oxido formate is sourced from PubChem (CID 157063189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).