1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane

C37H38F26N4O12 — CID 158965615

IUPAC1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C18H17F13N2O6.C10H9F13.C9H12N2O6/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)3-1-5-38-10-9(36)7(6-34)39-11(10)33-4-2-8(35)32-12(33)37;1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h2,4,7,9-11,34,36H,1,3,5-6H2,(H,32,35,37);2-4H2,1H3;1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t7-,9?,10+,11-;;4-,6?,7+,8-/m1.1/s1
InChIKeyJNDVVUPFJYHYSI-MEVGFMGDSA-N
MW1224.67 g/mol
LogP5.75
Rot. Bonds20

About 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane

1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane (PubChem CID 158965615) has the molecular formula C37H38F26N4O12 and a molecular weight of 1224.67 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane.

Molecular Properties

Compound Name1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane
PubChem CID158965615
Molecular FormulaC37H38F26N4O12
Molecular Weight1224.67 g/mol
Exact Mass1224.21
IUPAC Name1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C18H17F13N2O6.C10H9F13.C9H12N2O6/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)3-1-5-38-10-9(36)7(6-34)39-11(10)33-4-2-8(35)32-12(33)37;1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h2,4,7,9-11,34,36H,1,3,5-6H2,(H,32,35,37);2-4H2,1H3;1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t7-,9?,10+,11-;;4-,6?,7+,8-/m1.1/s1
InChIKeyJNDVVUPFJYHYSI-MEVGFMGDSA-N
XLogP5.75
TPSA238.56 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001224.67
LogP ≤ 55.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 100911070
1-[(2R,3R,4S,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 138470105
1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 20762853
1-[3-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylamino)-3-hydroxypropoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 153295583
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
1-[5-(aminomethyl)-3-hexadecoxy-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177181973
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3R,4R,5R)-3-hex-5-enoxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121487348
1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylperoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 166759256

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane?
The IUPAC name of 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane (CID 158965615) is 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane.
What is the SMILES notation for 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane?
The canonical SMILES for 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane is CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane?
The InChIKey is JNDVVUPFJYHYSI-MEVGFMGDSA-N. The full InChI is InChI=1S/C18H17F13N2O6.C10H9F13.C9H12N2O6/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)3-1-5-38-10-9(36)7(6-34)39-11(10)33-4-2-8(35)32-12(33)37;1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h2,4,7,9-11,34,36H,1,3,5-6H2,(H,32,35,37);2-4H2,1H3;1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t7-,9?,10+,11-;;4-,6?,7+,8-/m1.1/s1.
What are the key properties of 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane?
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane has a molecular weight of 1224.67 g/mol, XLogP of 5.75, 20 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)oxolan-2-yl]pyrimidine-2,4-dione;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane is sourced from PubChem (CID 158965615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).