4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one

C73H88F12N18O28S9 — CID 159877961

IUPAC4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
SMILESC=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](CO)[C@H](F)C1O.Nc1ccn([C@@H]2O[C@H](CO)[C@H](F)C2O)c(=S)n1.O=c1[nH]c(=S)c(F)cn1[C@@H]1O[C@H](CO)[C@H](F)C1O.O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO)[C@H](F)C1O.O=c1[nH]c(=S)n([C@@H]2O[C@H](CO)[C@H](F)C2O)cc1F.O=c1ccn([C@@H]2O[C@H](CO)[C@H](F)C2O)c(=S)[nH]1.OC[C@H]1O[C@@H](n2cc(F)c(=S)[nH]c2=S)C(O)[C@H]1F.OC[C@H]1O[C@@H](n2ccc(=S)[nH]c2=S)C(O)[C@H]1F
InChIInChI=1S/C10H13F2N3O3.2C9H10F2N2O4S.C9H10F2N2O3S2.C9H12FN3O3S.2C9H11FN2O4S.C9H11FN2O3S2/c1-4-14-9(13)5(11)2-15(4)10-8(17)7(12)6(3-16)18-10;10-3-1-13(9(16)12-7(3)18)8-6(15)5(11)4(2-14)17-8;10-3-1-13(9(18)12-7(3)16)8-6(15)5(11)4(2-14)17-8;10-3-1-13(9(18)12-7(3)17)8-6(15)5(11)4(2-14)16-8;10-6-4(3-14)16-8(7(6)15)13-2-1-5(11)12-9(13)17;10-6-4(3-13)16-8(7(6)14)12-2-1-5(17)11-9(12)15;10-6-4(3-13)16-8(7(6)15)12-2-1-5(14)11-9(12)17;10-6-4(3-13)15-8(7(6)14)12-2-1-5(16)11-9(12)17/h2,6-8,10,16-17H,1,3H2,(H2,13,14);2*1,4-6,8,14-15H,2H2,(H,12,16,18);1,4-6,8,14-15H,2H2,(H,12,17,18);1-2,4,6-8,14-15H,3H2,(H2,11,12,17);1-2,4,6-8,13-14H,3H2,(H,11,15,17);1-2,4,6-8,13,15H,3H2,(H,11,14,17);1-2,4,6-8,13-14H,3H2,(H,11,16,17)/t6-,7+,8?,10-;3*4-,5+,6?,8-;4*4-,6+,7?,8-/m11111111/s1
InChIKeyNTDPHEULWOMFPF-ZERVDONJSA-N
MW2182.18 g/mol
LogP-0.74
Rot. Bonds16

About 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one

4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one (PubChem CID 159877961) has the molecular formula C73H88F12N18O28S9 and a molecular weight of 2182.18 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
PubChem CID159877961
Molecular FormulaC73H88F12N18O28S9
Molecular Weight2182.18 g/mol
Exact Mass2180.33
IUPAC Name4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
SMILESC=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](CO)[C@H](F)C1O.Nc1ccn([C@@H]2O[C@H](CO)[C@H](F)C2O)c(=S)n1.O=c1[nH]c(=S)c(F)cn1[C@@H]1O[C@H](CO)[C@H](F)C1O.O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO)[C@H](F)C1O.O=c1[nH]c(=S)n([C@@H]2O[C@H](CO)[C@H](F)C2O)cc1F.O=c1ccn([C@@H]2O[C@H](CO)[C@H](F)C2O)c(=S)[nH]1.OC[C@H]1O[C@@H](n2cc(F)c(=S)[nH]c2=S)C(O)[C@H]1F.OC[C@H]1O[C@@H](n2ccc(=S)[nH]c2=S)C(O)[C@H]1F
InChIInChI=1S/C10H13F2N3O3.2C9H10F2N2O4S.C9H10F2N2O3S2.C9H12FN3O3S.2C9H11FN2O4S.C9H11FN2O3S2/c1-4-14-9(13)5(11)2-15(4)10-8(17)7(12)6(3-16)18-10;10-3-1-13(9(16)12-7(3)18)8-6(15)5(11)4(2-14)17-8;10-3-1-13(9(18)12-7(3)16)8-6(15)5(11)4(2-14)17-8;10-3-1-13(9(18)12-7(3)17)8-6(15)5(11)4(2-14)16-8;10-6-4(3-14)16-8(7(6)15)13-2-1-5(11)12-9(13)17;10-6-4(3-13)16-8(7(6)14)12-2-1-5(17)11-9(12)15;10-6-4(3-13)16-8(7(6)15)12-2-1-5(14)11-9(12)17;10-6-4(3-13)15-8(7(6)14)12-2-1-5(16)11-9(12)17/h2,6-8,10,16-17H,1,3H2,(H2,13,14);2*1,4-6,8,14-15H,2H2,(H,12,16,18);1,4-6,8,14-15H,2H2,(H,12,17,18);1-2,4,6-8,14-15H,3H2,(H2,11,12,17);1-2,4,6-8,13-14H,3H2,(H,11,15,17);1-2,4,6-8,13,15H,3H2,(H,11,14,17);1-2,4,6-8,13-14H,3H2,(H,11,16,17)/t6-,7+,8?,10-;3*4-,5+,6?,8-;4*4-,6+,7?,8-/m11111111/s1
InChIKeyNTDPHEULWOMFPF-ZERVDONJSA-N
XLogP-0.74
TPSA675.58 Ų
H-Bond Donors24
H-Bond Acceptors49
Rotatable Bonds16
Heavy Atoms140
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002182.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one (CID 159877961) is 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one is C=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](CO)[C@H](F)C1O.Nc1ccn([C@@H]2O[C@H](CO)[C@H](F)C2O)c(=S)n1.O=c1[nH]c(=S)c(F)cn1[C@@H]1O[C@H](CO)[C@H](F)C1O.O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO)[C@H](F)C1O.O=c1[nH]c(=S)n([C@@H]2O[C@H](CO)[C@H](F)C2O)cc1F.O=c1ccn([C@@H]2O[C@H](CO)[C@H](F)C2O)c(=S)[nH]1.OC[C@H]1O[C@@H](n2cc(F)c(=S)[nH]c2=S)C(O)[C@H]1F.OC[C@H]1O[C@@H](n2ccc(=S)[nH]c2=S)C(O)[C@H]1F.
What is the InChIKey of 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
The InChIKey is NTDPHEULWOMFPF-ZERVDONJSA-N. The full InChI is InChI=1S/C10H13F2N3O3.2C9H10F2N2O4S.C9H10F2N2O3S2.C9H12FN3O3S.2C9H11FN2O4S.C9H11FN2O3S2/c1-4-14-9(13)5(11)2-15(4)10-8(17)7(12)6(3-16)18-10;10-3-1-13(9(16)12-7(3)18)8-6(15)5(11)4(2-14)17-8;10-3-1-13(9(18)12-7(3)16)8-6(15)5(11)4(2-14)17-8;10-3-1-13(9(18)12-7(3)17)8-6(15)5(11)4(2-14)16-8;10-6-4(3-14)16-8(7(6)15)13-2-1-5(11)12-9(13)17;10-6-4(3-13)16-8(7(6)14)12-2-1-5(17)11-9(12)15;10-6-4(3-13)16-8(7(6)15)12-2-1-5(14)11-9(12)17;10-6-4(3-13)15-8(7(6)14)12-2-1-5(16)11-9(12)17/h2,6-8,10,16-17H,1,3H2,(H2,13,14);2*1,4-6,8,14-15H,2H2,(H,12,16,18);1,4-6,8,14-15H,2H2,(H,12,17,18);1-2,4,6-8,14-15H,3H2,(H2,11,12,17);1-2,4,6-8,13-14H,3H2,(H,11,15,17);1-2,4,6-8,13,15H,3H2,(H,11,14,17);1-2,4,6-8,13-14H,3H2,(H,11,16,17)/t6-,7+,8?,10-;3*4-,5+,6?,8-;4*4-,6+,7?,8-/m11111111/s1.
What are the key properties of 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one has a molecular weight of 2182.18 g/mol, XLogP of -0.74, 16 rotatable bonds, 24 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione;(2R,4R,5R)-2-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;5-fluoro-1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one;1-[(2R,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one is sourced from PubChem (CID 159877961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).