2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide

C133H166N56O26 — CID 160626866

IUPAC2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide
SMILESC#CCOc1ccc(CC(N)C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@H]2O)cc1.C#Cc1ccc(CC(N)C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@H]2O)cc1.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(CN=[N+]=[N-])nc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(N=[N+]=[N-])cc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(OCCN=[N+]=[N-])cc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccnc(CN=[N+]=[N-])c2)[C@@H]1O
InChIInChI=1S/C24H29N7O5.C23H30N10O5.C23H27N7O4.2C21H27N11O4.C21H26N10O4/c1-4-9-35-15-7-5-14(6-8-15)10-16(25)23(34)29-18-17(11-32)36-24(20(18)33)31-13-28-19-21(30(2)3)26-12-27-22(19)31;1-32(2)20-18-21(27-11-26-20)33(12-28-18)23-19(35)17(16(10-34)38-23)30-22(36)15(24)9-13-3-5-14(6-4-13)37-8-7-29-31-25;1-4-13-5-7-14(8-6-13)9-15(24)22(33)28-17-16(10-31)34-23(19(17)32)30-12-27-18-20(29(2)3)25-11-26-21(18)30;1-31(2)18-16-19(26-9-25-18)32(10-27-16)21-17(34)15(14(8-33)36-21)29-20(35)13(22)6-11-3-4-24-12(5-11)7-28-30-23;1-31(2)18-16-19(26-9-25-18)32(10-27-16)21-17(34)15(14(8-33)36-21)29-20(35)13(22)5-11-3-4-12(24-6-11)7-28-30-23;1-30(2)18-16-19(25-9-24-18)31(10-26-16)21-17(33)15(14(8-32)35-21)27-20(34)13(22)7-11-3-5-12(6-4-11)28-29-23/h1,5-8,12-13,16-18,20,24,32-33H,9-11,25H2,2-3H3,(H,29,34);3-6,11-12,15-17,19,23,34-35H,7-10,24H2,1-2H3,(H,30,36);1,5-8,11-12,15-17,19,23,31-32H,9-10,24H2,2-3H3,(H,28,33);3-5,9-10,13-15,17,21,33-34H,6-8,22H2,1-2H3,(H,29,35);3-4,6,9-10,13-15,17,21,33-34H,5,7-8,22H2,1-2H3,(H,29,35);3-6,9-10,13-15,17,21,32-33H,7-8,22H2,1-2H3,(H,27,34)/t16?,17-,18?,20+,24-;2*15?,16-,17?,19+,23-;3*13?,14-,15?,17+,21-/m111111/s1
InChIKeyRHKMIMYZCACZEK-DUPORDPBSA-N
MW2965.16 g/mol
LogP-2.78
Rot. Bonds53

About 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide

2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide (PubChem CID 160626866) has the molecular formula C133H166N56O26 and a molecular weight of 2965.16 g/mol. Its IUPAC name is 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide
PubChem CID160626866
Molecular FormulaC133H166N56O26
Molecular Weight2965.16 g/mol
Exact Mass2963.34
IUPAC Name2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide
SMILESC#CCOc1ccc(CC(N)C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@H]2O)cc1.C#Cc1ccc(CC(N)C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@H]2O)cc1.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(CN=[N+]=[N-])nc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(N=[N+]=[N-])cc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(OCCN=[N+]=[N-])cc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccnc(CN=[N+]=[N-])c2)[C@@H]1O
InChIInChI=1S/C24H29N7O5.C23H30N10O5.C23H27N7O4.2C21H27N11O4.C21H26N10O4/c1-4-9-35-15-7-5-14(6-8-15)10-16(25)23(34)29-18-17(11-32)36-24(20(18)33)31-13-28-19-21(30(2)3)26-12-27-22(19)31;1-32(2)20-18-21(27-11-26-20)33(12-28-18)23-19(35)17(16(10-34)38-23)30-22(36)15(24)9-13-3-5-14(6-4-13)37-8-7-29-31-25;1-4-13-5-7-14(8-6-13)9-15(24)22(33)28-17-16(10-31)34-23(19(17)32)30-12-27-18-20(29(2)3)25-11-26-21(18)30;1-31(2)18-16-19(26-9-25-18)32(10-27-16)21-17(34)15(14(8-33)36-21)29-20(35)13(22)6-11-3-4-24-12(5-11)7-28-30-23;1-31(2)18-16-19(26-9-25-18)32(10-27-16)21-17(34)15(14(8-33)36-21)29-20(35)13(22)5-11-3-4-12(24-6-11)7-28-30-23;1-30(2)18-16-19(25-9-24-18)31(10-26-16)21-17(33)15(14(8-32)35-21)27-20(34)13(22)7-11-3-5-12(6-4-11)28-29-23/h1,5-8,12-13,16-18,20,24,32-33H,9-11,25H2,2-3H3,(H,29,34);3-6,11-12,15-17,19,23,34-35H,7-10,24H2,1-2H3,(H,30,36);1,5-8,11-12,15-17,19,23,31-32H,9-10,24H2,2-3H3,(H,28,33);3-5,9-10,13-15,17,21,33-34H,6-8,22H2,1-2H3,(H,29,35);3-4,6,9-10,13-15,17,21,33-34H,5,7-8,22H2,1-2H3,(H,29,35);3-6,9-10,13-15,17,21,32-33H,7-8,22H2,1-2H3,(H,27,34)/t16?,17-,18?,20+,24-;2*15?,16-,17?,19+,23-;3*13?,14-,15?,17+,21-/m111111/s1
InChIKeyRHKMIMYZCACZEK-DUPORDPBSA-N
XLogP-2.78
TPSA1149.18 Ų
H-Bond Donors24
H-Bond Acceptors68
Rotatable Bonds53
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002965.16
LogP ≤ 5-2.78
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide with MolForge

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Related Compounds

2-amino-3-(4-azidophenyl)-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide
CID 71576432
2-amino-3-(4-azidophenyl)-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide
CID 53463361
(2S)-2-amino-N-[(2S,3S)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
CID 134692731
2-amino-N-[(2S,3R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
CID 6602487
2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;dihydrochloride
CID 2724364
(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pent-4-ynamide
CID 71576476
(2S)-2-amino-N-[(2S,3S,4R,5R)-2-(chloromethyl)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-3-yl]-3-(4-methoxyphenyl)propanamide
CID 177378037
2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hex-5-ynamide
CID 71576429
(2R)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide
CID 101259169
3-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid
CID 21147309
[1-[[(2R,3R,4S,5S)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium
CID 25201034
(2S)-2-amino-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(2-methylpropyl)oxolan-3-yl]-3-[4-(methylamino)phenyl]propanamide
CID 153447978

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide?
The IUPAC name of 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide (CID 160626866) is 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide?
The canonical SMILES for 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide is C#CCOc1ccc(CC(N)C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@H]2O)cc1.C#Cc1ccc(CC(N)C(=O)NC2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@H]2O)cc1.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(CN=[N+]=[N-])nc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(N=[N+]=[N-])cc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccc(OCCN=[N+]=[N-])cc2)[C@@H]1O.CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)Cc2ccnc(CN=[N+]=[N-])c2)[C@@H]1O.
What is the InChIKey of 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide?
The InChIKey is RHKMIMYZCACZEK-DUPORDPBSA-N. The full InChI is InChI=1S/C24H29N7O5.C23H30N10O5.C23H27N7O4.2C21H27N11O4.C21H26N10O4/c1-4-9-35-15-7-5-14(6-8-15)10-16(25)23(34)29-18-17(11-32)36-24(20(18)33)31-13-28-19-21(30(2)3)26-12-27-22(19)31;1-32(2)20-18-21(27-11-26-20)33(12-28-18)23-19(35)17(16(10-34)38-23)30-22(36)15(24)9-13-3-5-14(6-4-13)37-8-7-29-31-25;1-4-13-5-7-14(8-6-13)9-15(24)22(33)28-17-16(10-31)34-23(19(17)32)30-12-27-18-20(29(2)3)25-11-26-21(18)30;1-31(2)18-16-19(26-9-25-18)32(10-27-16)21-17(34)15(14(8-33)36-21)29-20(35)13(22)6-11-3-4-24-12(5-11)7-28-30-23;1-31(2)18-16-19(26-9-25-18)32(10-27-16)21-17(34)15(14(8-33)36-21)29-20(35)13(22)5-11-3-4-12(24-6-11)7-28-30-23;1-30(2)18-16-19(25-9-24-18)31(10-26-16)21-17(33)15(14(8-32)35-21)27-20(34)13(22)7-11-3-5-12(6-4-11)28-29-23/h1,5-8,12-13,16-18,20,24,32-33H,9-11,25H2,2-3H3,(H,29,34);3-6,11-12,15-17,19,23,34-35H,7-10,24H2,1-2H3,(H,30,36);1,5-8,11-12,15-17,19,23,31-32H,9-10,24H2,2-3H3,(H,28,33);3-5,9-10,13-15,17,21,33-34H,6-8,22H2,1-2H3,(H,29,35);3-4,6,9-10,13-15,17,21,33-34H,5,7-8,22H2,1-2H3,(H,29,35);3-6,9-10,13-15,17,21,32-33H,7-8,22H2,1-2H3,(H,27,34)/t16?,17-,18?,20+,24-;2*15?,16-,17?,19+,23-;3*13?,14-,15?,17+,21-/m111111/s1.
What are the key properties of 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide?
2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide has a molecular weight of 2965.16 g/mol, XLogP of -2.78, 53 rotatable bonds, 24 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-azidoethoxy)phenyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[2-(azidomethyl)-4-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-[6-(azidomethyl)-3-pyridinyl]-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-3-(4-azidophenyl)-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-ethynylphenyl)propanamide;2-amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide is sourced from PubChem (CID 160626866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).