(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one

C101H124F8N38O27 — CID 158053353

IUPAC(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
SMILESC#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.C=C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](F)[C@@H]1O.C=C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.CC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](F)[C@@H]1O.CC[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.Cc1nc(N)c2ncn([C@@H]3O[C@](C#N)(CO)[C@@H](O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@](C)(CO)[C@@H](O)[C@H]3F)c2n1.Cc1nc2c(ncn2[C@@H]2O[C@](C)(CO)[C@@H](O)[C@H]2F)c(=O)[nH]1
InChIInChI=1S/C13H18FN5O3.C13H16FN5O3.C13H14FN5O3.C13H17FN4O4.C13H15FN4O4.C12H13FN6O3.C12H16FN5O3.C12H15FN4O4/c3*1-3-13(4-20)9(21)7(14)12(22-13)19-5-16-8-10(15)17-6(2)18-11(8)19;2*1-3-13(4-19)9(20)7(14)12(22-13)18-5-15-8-10(18)16-6(2)17-11(8)21;1-5-17-9(15)7-10(18-5)19(4-16-7)11-6(13)8(21)12(2-14,3-20)22-11;1-5-16-9(14)7-10(17-5)18(4-15-7)11-6(13)8(20)12(2,3-19)21-11;1-5-15-9-7(10(20)16-5)14-4-17(9)11-6(13)8(19)12(2,3-18)21-11/h5,7,9,12,20-21H,3-4H2,1-2H3,(H2,15,17,18);3,5,7,9,12,20-21H,1,4H2,2H3,(H2,15,17,18);1,5,7,9,12,20-21H,4H2,2H3,(H2,15,17,18);5,7,9,12,19-20H,3-4H2,1-2H3,(H,16,17,21);3,5,7,9,12,19-20H,1,4H2,2H3,(H,16,17,21);4,6,8,11,20-21H,3H2,1H3,(H2,15,17,18);4,6,8,11,19-20H,3H2,1-2H3,(H2,14,16,17);4,6,8,11,18-19H,3H2,1-2H3,(H,15,16,20)/t5*7-,9+,12-,13-;3*6-,8+,11-,12-/m11111111/s1
InChIKeyFJTBMFNYMPQZDS-KDIXHXQCSA-N
MW2454.33 g/mol
LogP-3.07
Rot. Bonds20

About (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one

(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one (PubChem CID 158053353) has the molecular formula C101H124F8N38O27 and a molecular weight of 2454.33 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
PubChem CID158053353
Molecular FormulaC101H124F8N38O27
Molecular Weight2454.33 g/mol
Exact Mass2452.94
IUPAC Name(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
SMILESC#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.C=C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](F)[C@@H]1O.C=C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.CC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](F)[C@@H]1O.CC[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.Cc1nc(N)c2ncn([C@@H]3O[C@](C#N)(CO)[C@@H](O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@](C)(CO)[C@@H](O)[C@H]3F)c2n1.Cc1nc2c(ncn2[C@@H]2O[C@](C)(CO)[C@@H](O)[C@H]2F)c(=O)[nH]1
InChIInChI=1S/C13H18FN5O3.C13H16FN5O3.C13H14FN5O3.C13H17FN4O4.C13H15FN4O4.C12H13FN6O3.C12H16FN5O3.C12H15FN4O4/c3*1-3-13(4-20)9(21)7(14)12(22-13)19-5-16-8-10(15)17-6(2)18-11(8)19;2*1-3-13(4-19)9(20)7(14)12(22-13)18-5-15-8-10(18)16-6(2)17-11(8)21;1-5-17-9(15)7-10(18-5)19(4-16-7)11-6(13)8(21)12(2-14,3-20)22-11;1-5-16-9(14)7-10(17-5)18(4-15-7)11-6(13)8(20)12(2,3-19)21-11;1-5-15-9-7(10(20)16-5)14-4-17(9)11-6(13)8(19)12(2,3-18)21-11/h5,7,9,12,20-21H,3-4H2,1-2H3,(H2,15,17,18);3,5,7,9,12,20-21H,1,4H2,2H3,(H2,15,17,18);1,5,7,9,12,20-21H,4H2,2H3,(H2,15,17,18);5,7,9,12,19-20H,3-4H2,1-2H3,(H,16,17,21);3,5,7,9,12,19-20H,1,4H2,2H3,(H,16,17,21);4,6,8,11,20-21H,3H2,1H3,(H2,15,17,18);4,6,8,11,19-20H,3H2,1-2H3,(H2,14,16,17);4,6,8,11,18-19H,3H2,1-2H3,(H,15,16,20)/t5*7-,9+,12-,13-;3*6-,8+,11-,12-/m11111111/s1
InChIKeyFJTBMFNYMPQZDS-KDIXHXQCSA-N
XLogP-3.07
TPSA960.12 Ų
H-Bond Donors24
H-Bond Acceptors62
Rotatable Bonds20
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002454.33
LogP ≤ 5-3.07
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one 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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?
The IUPAC name of (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one (CID 158053353) is (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one.
What is the SMILES notation for (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?
The canonical SMILES for (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one is C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.C=C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](F)[C@@H]1O.C=C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.CC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](F)[C@@H]1O.CC[C@]1(CO)O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](F)[C@@H]1O.Cc1nc(N)c2ncn([C@@H]3O[C@](C#N)(CO)[C@@H](O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@](C)(CO)[C@@H](O)[C@H]3F)c2n1.Cc1nc2c(ncn2[C@@H]2O[C@](C)(CO)[C@@H](O)[C@H]2F)c(=O)[nH]1.
What is the InChIKey of (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?
The InChIKey is FJTBMFNYMPQZDS-KDIXHXQCSA-N. The full InChI is InChI=1S/C13H18FN5O3.C13H16FN5O3.C13H14FN5O3.C13H17FN4O4.C13H15FN4O4.C12H13FN6O3.C12H16FN5O3.C12H15FN4O4/c3*1-3-13(4-20)9(21)7(14)12(22-13)19-5-16-8-10(15)17-6(2)18-11(8)19;2*1-3-13(4-19)9(20)7(14)12(22-13)18-5-15-8-10(18)16-6(2)17-11(8)21;1-5-17-9(15)7-10(18-5)19(4-16-7)11-6(13)8(21)12(2-14,3-20)22-11;1-5-16-9(14)7-10(17-5)18(4-15-7)11-6(13)8(20)12(2,3-19)21-11;1-5-15-9-7(10(20)16-5)14-4-17(9)11-6(13)8(19)12(2,3-18)21-11/h5,7,9,12,20-21H,3-4H2,1-2H3,(H2,15,17,18);3,5,7,9,12,20-21H,1,4H2,2H3,(H2,15,17,18);1,5,7,9,12,20-21H,4H2,2H3,(H2,15,17,18);5,7,9,12,19-20H,3-4H2,1-2H3,(H,16,17,21);3,5,7,9,12,19-20H,1,4H2,2H3,(H,16,17,21);4,6,8,11,20-21H,3H2,1H3,(H2,15,17,18);4,6,8,11,19-20H,3H2,1-2H3,(H2,14,16,17);4,6,8,11,18-19H,3H2,1-2H3,(H,15,16,20)/t5*7-,9+,12-,13-;3*6-,8+,11-,12-/m11111111/s1.
What are the key properties of (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?
(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one has a molecular weight of 2454.33 g/mol, XLogP of -3.07, 20 rotatable bonds, 24 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-ethynyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;9-[(2R,3R,4R,5R)-5-ethenyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methyl-1H-purin-6-one is sourced from PubChem (CID 158053353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).