[(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate

C89H131F5N31O30P — CID 159864924

IUPAC[(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)CC)[C@@H](OC(=O)C(C)C)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)CC)[C@@H](OC(=O)CC)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COP(=O)(OCCC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@H]1F.C=C1NC(=O)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]1F.C=C1NC(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]1F
InChIInChI=1S/C22H34FN6O11P.C18H25FN6O5.C17H23FN6O5.C16H26FN7O4.C16H23FN6O5/c1-13(2)38-17(30)7-9-35-41(33,37-12-34-21(32)39-14(3)4)36-11-22(10-26-28-25)19(31)18(23)20(40-22)29-8-6-16(24)27-15(29)5;1-5-13(26)28-9-18(8-22-24-21)15(29-17(27)10(2)3)14(19)16(30-18)25-7-6-12(20)23-11(25)4;1-4-12(25)27-9-17(8-21-23-20)15(28-13(26)5-2)14(18)16(29-17)24-7-6-11(19)22-10(24)3;1-8(2)12(19)15(26)27-7-16(6-21-23-20)13(25)11(17)14(28-16)24-5-4-10(18)22-9(24)3;1-8(2)12(18)15(26)27-7-16(6-20-22-19)13(25)11(17)14(28-16)23-5-4-10(24)21-9(23)3/h6,8,13-14,18-20,31H,5,7,9-12H2,1-4H3,(H2,24,27);6-7,10,14-16H,4-5,8-9H2,1-3H3,(H2,20,23);6-7,14-16H,3-5,8-9H2,1-2H3,(H2,19,22);4-5,8,10-14,22,25H,3,6-7,18-19H2,1-2H3;4-5,8,11-14,25H,3,6-7,18H2,1-2H3,(H,21,24)/t18-,19+,20-,22-,41?;14-,15+,16-,18-;14-,15+,16-,17-;10?,11-,12?,13+,14-,16-;11-,12?,13+,14-,16-/m11111/s1
InChIKeyNRPPBOBIRHJJNV-WUHFSHPKSA-N
MW2241.18 g/mol
LogP6.16
Rot. Bonds45

About [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate

[(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate (PubChem CID 159864924) has the molecular formula C89H131F5N31O30P and a molecular weight of 2241.18 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate
PubChem CID159864924
Molecular FormulaC89H131F5N31O30P
Molecular Weight2241.18 g/mol
Exact Mass2239.93
IUPAC Name[(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)CC)[C@@H](OC(=O)C(C)C)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)CC)[C@@H](OC(=O)CC)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COP(=O)(OCCC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@H]1F.C=C1NC(=O)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]1F.C=C1NC(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]1F
InChIInChI=1S/C22H34FN6O11P.C18H25FN6O5.C17H23FN6O5.C16H26FN7O4.C16H23FN6O5/c1-13(2)38-17(30)7-9-35-41(33,37-12-34-21(32)39-14(3)4)36-11-22(10-26-28-25)19(31)18(23)20(40-22)29-8-6-16(24)27-15(29)5;1-5-13(26)28-9-18(8-22-24-21)15(29-17(27)10(2)3)14(19)16(30-18)25-7-6-12(20)23-11(25)4;1-4-12(25)27-9-17(8-21-23-20)15(28-13(26)5-2)14(18)16(29-17)24-7-6-11(19)22-10(24)3;1-8(2)12(19)15(26)27-7-16(6-21-23-20)13(25)11(17)14(28-16)24-5-4-10(18)22-9(24)3;1-8(2)12(18)15(26)27-7-16(6-20-22-19)13(25)11(17)14(28-16)23-5-4-10(24)21-9(23)3/h6,8,13-14,18-20,31H,5,7,9-12H2,1-4H3,(H2,24,27);6-7,10,14-16H,4-5,8-9H2,1-3H3,(H2,20,23);6-7,14-16H,3-5,8-9H2,1-2H3,(H2,19,22);4-5,8,10-14,22,25H,3,6-7,18-19H2,1-2H3;4-5,8,11-14,25H,3,6-7,18H2,1-2H3,(H,21,24)/t18-,19+,20-,22-,41?;14-,15+,16-,18-;14-,15+,16-,17-;10?,11-,12?,13+,14-,16-;11-,12?,13+,14-,16-/m11111/s1
InChIKeyNRPPBOBIRHJJNV-WUHFSHPKSA-N
XLogP6.16
TPSA865.56 Ų
H-Bond Donors11
H-Bond Acceptors50
Rotatable Bonds45
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002241.18
LogP ≤ 56.16
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate?
The IUPAC name of [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate (CID 159864924) is [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate.
What is the SMILES notation for [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate?
The canonical SMILES for [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate is C=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)CC)[C@@H](OC(=O)C(C)C)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)CC)[C@@H](OC(=O)CC)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COP(=O)(OCCC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@H]1F.C=C1NC(=O)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]1F.C=C1NC(N)C=CN1[C@@H]1O[C@](CN=[N+]=[N-])(COC(=O)C(N)C(C)C)[C@@H](O)[C@H]1F.
What is the InChIKey of [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate?
The InChIKey is NRPPBOBIRHJJNV-WUHFSHPKSA-N. The full InChI is InChI=1S/C22H34FN6O11P.C18H25FN6O5.C17H23FN6O5.C16H26FN7O4.C16H23FN6O5/c1-13(2)38-17(30)7-9-35-41(33,37-12-34-21(32)39-14(3)4)36-11-22(10-26-28-25)19(31)18(23)20(40-22)29-8-6-16(24)27-15(29)5;1-5-13(26)28-9-18(8-22-24-21)15(29-17(27)10(2)3)14(19)16(30-18)25-7-6-12(20)23-11(25)4;1-4-12(25)27-9-17(8-21-23-20)15(28-13(26)5-2)14(18)16(29-17)24-7-6-11(19)22-10(24)3;1-8(2)12(19)15(26)27-7-16(6-21-23-20)13(25)11(17)14(28-16)24-5-4-10(18)22-9(24)3;1-8(2)12(18)15(26)27-7-16(6-20-22-19)13(25)11(17)14(28-16)23-5-4-10(24)21-9(23)3/h6,8,13-14,18-20,31H,5,7,9-12H2,1-4H3,(H2,24,27);6-7,10,14-16H,4-5,8-9H2,1-3H3,(H2,20,23);6-7,14-16H,3-5,8-9H2,1-2H3,(H2,19,22);4-5,8,10-14,22,25H,3,6-7,18-19H2,1-2H3;4-5,8,11-14,25H,3,6-7,18H2,1-2H3,(H,21,24)/t18-,19+,20-,22-,41?;14-,15+,16-,18-;14-,15+,16-,17-;10?,11-,12?,13+,14-,16-;11-,12?,13+,14-,16-/m11111/s1.
What are the key properties of [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate?
[(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate has a molecular weight of 2241.18 g/mol, XLogP of 6.16, 45 rotatable bonds, 11 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(propanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-propanoyloxyoxolan-2-yl]methyl propanoate;[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-amino-3-methylbutanoate;propan-2-yl 3-[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxypropanoate is sourced from PubChem (CID 159864924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).