1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide

C86H160Br2N6O19P2Si2 — CID 157254966

IUPAC1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide
SMILESCCCC[P+](CCCC)(CCCC)CCCNC(=O)CCC1(CCC(=O)O)OCCO1.CCCC[P+](CCCC)(CCCC)CCCNC(=O)CCC1(CCC(=O)O[C@@H]2C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CC)OCCO1.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O.[Br-].[Br-]
InChIInChI=1S/C43H78N3O9PSi.C24H46NO5P.C19H34N2O5Si.2BrH/c1-11-15-28-56(29-16-12-2,30-17-13-3)31-18-24-44-36(47)19-22-43(51-26-27-52-43)23-20-38(49)54-39-35(14-4)53-41(46-25-21-37(48)45-42(46)50)40(39)55-57(32(5)6,33(7)8)34(9)10;1-4-7-18-31(19-8-5-2,20-9-6-3)21-10-15-25-22(26)11-13-24(14-12-23(27)28)29-16-17-30-24;1-8-14-16(23)17(26-27(11(2)3,12(4)5)13(6)7)18(25-14)21-10-9-15(22)20-19(21)24;;/h21,25,32-35,39-41H,11-20,22-24,26-31H2,1-10H3,(H-,44,45,47,48,50);4-21H2,1-3H3,(H-,25,26,27,28);9-14,16-18,23H,8H2,1-7H3,(H,20,22,24);2*1H/t35-,39+,40?,41-;;14-,16+,17?,18-;;/m1.1../s1
InChIKeyDGYWRAQPBSXGEW-QOCUPYLGSA-N
MW1860.18 g/mol
LogP10.62
Rot. Bonds53

About 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide

1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide (PubChem CID 157254966) has the molecular formula C86H160Br2N6O19P2Si2 and a molecular weight of 1860.18 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide
PubChem CID157254966
Molecular FormulaC86H160Br2N6O19P2Si2
Molecular Weight1860.18 g/mol
Exact Mass1856.91
IUPAC Name1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide
SMILESCCCC[P+](CCCC)(CCCC)CCCNC(=O)CCC1(CCC(=O)O)OCCO1.CCCC[P+](CCCC)(CCCC)CCCNC(=O)CCC1(CCC(=O)O[C@@H]2C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CC)OCCO1.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O.[Br-].[Br-]
InChIInChI=1S/C43H78N3O9PSi.C24H46NO5P.C19H34N2O5Si.2BrH/c1-11-15-28-56(29-16-12-2,30-17-13-3)31-18-24-44-36(47)19-22-43(51-26-27-52-43)23-20-38(49)54-39-35(14-4)53-41(46-25-21-37(48)45-42(46)50)40(39)55-57(32(5)6,33(7)8)34(9)10;1-4-7-18-31(19-8-5-2,20-9-6-3)21-10-15-25-22(26)11-13-24(14-12-23(27)28)29-16-17-30-24;1-8-14-16(23)17(26-27(11(2)3,12(4)5)13(6)7)18(25-14)21-10-9-15(22)20-19(21)24;;/h21,25,32-35,39-41H,11-20,22-24,26-31H2,1-10H3,(H-,44,45,47,48,50);4-21H2,1-3H3,(H-,25,26,27,28);9-14,16-18,23H,8H2,1-7H3,(H,20,22,24);2*1H/t35-,39+,40?,41-;;14-,16+,17?,18-;;/m1.1../s1
InChIKeyDGYWRAQPBSXGEW-QOCUPYLGSA-N
XLogP10.62
TPSA325.59 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds53
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001860.18
LogP ≤ 510.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide with MolForge

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Related Compounds

potassium;hydride;potassiopotassium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptanoyl]amino]propyl]phosphanium;dibromide
CID 159314060
[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl] 7-(butylamino)-4,7-dioxoheptanoate
CID 90393372
tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium
CID 160838696
diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide
CID 160838694
tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium
CID 159699324
methyl 16-[2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxyhexadecanoate
CID 170222580
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hexanoyloxy-2-(hydroxymethyl)oxolan-3-yl] hexanoate
CID 101181118
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-di(hexanoyloxy)oxolan-2-yl]methyl hexanoate
CID 101181117
[3-(butylamino)-3-oxopropyl]sulfanyl-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyphosphinic acid
CID 102593922
1-[(2R,3S,5R)-3-(aminomethoxy)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 126550157
3-[2-[3-(butylamino)-3-oxopropyl]-1,3-dioxolan-2-yl]propanoic acid
CID 90393249
1-[(2R,4S)-4-hydroxy-3-methoxy-5-[(propan-2-ylamino)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 177291545

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide?
The IUPAC name of 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide (CID 157254966) is 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide.
What is the SMILES notation for 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide?
The canonical SMILES for 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide is CCCC[P+](CCCC)(CCCC)CCCNC(=O)CCC1(CCC(=O)O)OCCO1.CCCC[P+](CCCC)(CCCC)CCCNC(=O)CCC1(CCC(=O)O[C@@H]2C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CC)OCCO1.CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O.[Br-].[Br-].
What is the InChIKey of 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide?
The InChIKey is DGYWRAQPBSXGEW-QOCUPYLGSA-N. The full InChI is InChI=1S/C43H78N3O9PSi.C24H46NO5P.C19H34N2O5Si.2BrH/c1-11-15-28-56(29-16-12-2,30-17-13-3)31-18-24-44-36(47)19-22-43(51-26-27-52-43)23-20-38(49)54-39-35(14-4)53-41(46-25-21-37(48)45-42(46)50)40(39)55-57(32(5)6,33(7)8)34(9)10;1-4-7-18-31(19-8-5-2,20-9-6-3)21-10-15-25-22(26)11-13-24(14-12-23(27)28)29-16-17-30-24;1-8-14-16(23)17(26-27(11(2)3,12(4)5)13(6)7)18(25-14)21-10-9-15(22)20-19(21)24;;/h21,25,32-35,39-41H,11-20,22-24,26-31H2,1-10H3,(H-,44,45,47,48,50);4-21H2,1-3H3,(H-,25,26,27,28);9-14,16-18,23H,8H2,1-7H3,(H,20,22,24);2*1H/t35-,39+,40?,41-;;14-,16+,17?,18-;;/m1.1../s1.
What are the key properties of 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide?
1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide has a molecular weight of 1860.18 g/mol, XLogP of 10.62, 53 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-ethyl-4-hydroxy-3-tri(propan-2-yl)silyloxyoxolan-2-yl]pyrimidine-2,4-dione;tributyl-[3-[3-[2-(2-carboxyethyl)-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;tributyl-[3-[3-[2-[3-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropyl]-1,3-dioxolan-2-yl]propanoylamino]propyl]phosphanium;dibromide is sourced from PubChem (CID 157254966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).