N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate

C169H236N20O74Si — CID 163859658

IUPACN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2C=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2OC=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2O[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.O=C(O)CCc1ccc(O)cc1.O=Cc1cc(CCC(=O)O)ccc1O.[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCc1ccc(O)c(C=O)c1
InChIInChI=1S/C37H58N4O15Si.C32H44N4O16.C32H44N4O15.C31H44N4O15.C18H26N4O6.C10H10O4.C9H10O3/c1-24(42)50-23-31-33(51-25(2)43)34(52-26(3)44)35(53-27(4)45)36(55-31)54-29-12-10-28(22-30(29)56-57(8,9)37(5,6)7)11-13-32(46)39-14-16-47-18-20-49-21-19-48-17-15-40-41-38;1-20(38)46-18-27-29(48-21(2)39)30(49-22(3)40)31(50-23(4)41)32(52-27)51-25-7-5-24(17-26(25)47-19-37)6-8-28(42)34-9-11-43-13-15-45-16-14-44-12-10-35-36-33;1-20(38)46-19-27-29(47-21(2)39)30(48-22(3)40)31(49-23(4)41)32(51-27)50-26-7-5-24(17-25(26)18-37)6-8-28(42)34-9-11-43-13-15-45-16-14-44-12-10-35-36-33;1-19(36)45-18-26-28(46-20(2)37)29(47-21(3)38)30(48-22(4)39)31(50-26)49-25-7-5-23(17-24(25)40)6-8-27(41)33-9-11-42-13-15-44-16-14-43-12-10-34-35-32;19-22-21-6-8-27-10-12-28-11-9-26-7-5-20-18(25)4-2-15-1-3-17(24)16(13-15)14-23;11-6-8-5-7(1-3-9(8)12)2-4-10(13)14;10-8-4-1-7(2-5-8)3-6-9(11)12/h10,12,22,31,33-36H,11,13-21,23H2,1-9H3,(H,39,46);5,7,17,19,27,29-32H,6,8-16,18H2,1-4H3,(H,34,42);5,7,17-18,27,29-32H,6,8-16,19H2,1-4H3,(H,34,42);5,7,17,26,28-31,40H,6,8-16,18H2,1-4H3,(H,33,41);1,3,13-14,24H,2,4-12H2,(H,20,25);1,3,5-6,12H,2,4H2,(H,13,14);1-2,4-5,10H,3,6H2,(H,11,12)/t31-,33+,34+,35-,36-;2*27-,29+,30+,31-,32-;26-,28+,29+,30-,31-;;;/m1111.../s1
InChIKeyPBJCCGRAXNFDKZ-MCFSNAIWSA-N
MW3759.90 g/mol
LogP11.91
Rot. Bonds116

About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate (PubChem CID 163859658) has the molecular formula C169H236N20O74Si and a molecular weight of 3759.90 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate.

Molecular Properties

Compound NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate
PubChem CID163859658
Molecular FormulaC169H236N20O74Si
Molecular Weight3759.90 g/mol
Exact Mass3757.51
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2C=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2OC=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2O[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.O=C(O)CCc1ccc(O)cc1.O=Cc1cc(CCC(=O)O)ccc1O.[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCc1ccc(O)c(C=O)c1
InChIInChI=1S/C37H58N4O15Si.C32H44N4O16.C32H44N4O15.C31H44N4O15.C18H26N4O6.C10H10O4.C9H10O3/c1-24(42)50-23-31-33(51-25(2)43)34(52-26(3)44)35(53-27(4)45)36(55-31)54-29-12-10-28(22-30(29)56-57(8,9)37(5,6)7)11-13-32(46)39-14-16-47-18-20-49-21-19-48-17-15-40-41-38;1-20(38)46-18-27-29(48-21(2)39)30(49-22(3)40)31(50-23(4)41)32(52-27)51-25-7-5-24(17-26(25)47-19-37)6-8-28(42)34-9-11-43-13-15-45-16-14-44-12-10-35-36-33;1-20(38)46-19-27-29(47-21(2)39)30(48-22(3)40)31(49-23(4)41)32(51-27)50-26-7-5-24(17-25(26)18-37)6-8-28(42)34-9-11-43-13-15-45-16-14-44-12-10-35-36-33;1-19(36)45-18-26-28(46-20(2)37)29(47-21(3)38)30(48-22(4)39)31(50-26)49-25-7-5-23(17-24(25)40)6-8-27(41)33-9-11-42-13-15-44-16-14-43-12-10-34-35-32;19-22-21-6-8-27-10-12-28-11-9-26-7-5-20-18(25)4-2-15-1-3-17(24)16(13-15)14-23;11-6-8-5-7(1-3-9(8)12)2-4-10(13)14;10-8-4-1-7(2-5-8)3-6-9(11)12/h10,12,22,31,33-36H,11,13-21,23H2,1-9H3,(H,39,46);5,7,17,19,27,29-32H,6,8-16,18H2,1-4H3,(H,34,42);5,7,17-18,27,29-32H,6,8-16,19H2,1-4H3,(H,34,42);5,7,17,26,28-31,40H,6,8-16,18H2,1-4H3,(H,33,41);1,3,13-14,24H,2,4-12H2,(H,20,25);1,3,5-6,12H,2,4H2,(H,13,14);1-2,4-5,10H,3,6H2,(H,11,12)/t31-,33+,34+,35-,36-;2*27-,29+,30+,31-,32-;26-,28+,29+,30-,31-;;;/m1111.../s1
InChIKeyPBJCCGRAXNFDKZ-MCFSNAIWSA-N
XLogP11.91
TPSA1264.65 Ų
H-Bond Donors11
H-Bond Acceptors77
Rotatable Bonds116
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003759.90
LogP ≤ 511.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1077

Analyze N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate with MolForge

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Related Compounds

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate
CID 166891825
[(2S,3R,4R,5S)-3,4,5-triacetyloxy-6-[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butanoyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate
CID 165001445
[(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[2-hydroxy-4-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]oxan-2-yl]methyl acetate
CID 163639341
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-7-(methylcarbamoyloxymethyl)-1-benzothiophen-4-yl]oxy]oxan-2-yl]methyl acetate
CID 174244917
[3,4-diacetyloxy-5-(4-formyl-2-hydroxyphenoxy)oxolan-2-yl]methyl acetate
CID 59731280
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-S-fluorosulfonimidoyl]oxyphenoxy]oxan-2-yl]methyl acetate
CID 162505313
tert-butyl (1S)-5-[5-[2-(2-azidoethoxy)ethylcarbamoyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenoxy]sulfonyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate
CID 162776578
[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-hydroxy-4-[3-(4-nitrophenyl)propanoyl]-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl acetate
CID 99737115
[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-hydroxy-4-[3-(4-nitrophenyl)propanoyl]-5-[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl acetate
CID 99737113
[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-5-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 177341824
[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[4-formyl-2-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl acetate
CID 124901411
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-[2-(2-azidoethoxy)ethoxy]-2-formylphenoxy]oxane-2-carboxylate
CID 121376243

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate?
The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate (CID 163859658) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate.
What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate?
The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2C=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2OC=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2ccc(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])cc2O[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.O=C(O)CCc1ccc(O)cc1.O=Cc1cc(CCC(=O)O)ccc1O.[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCc1ccc(O)c(C=O)c1.
What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate?
The InChIKey is PBJCCGRAXNFDKZ-MCFSNAIWSA-N. The full InChI is InChI=1S/C37H58N4O15Si.C32H44N4O16.C32H44N4O15.C31H44N4O15.C18H26N4O6.C10H10O4.C9H10O3/c1-24(42)50-23-31-33(51-25(2)43)34(52-26(3)44)35(53-27(4)45)36(55-31)54-29-12-10-28(22-30(29)56-57(8,9)37(5,6)7)11-13-32(46)39-14-16-47-18-20-49-21-19-48-17-15-40-41-38;1-20(38)46-18-27-29(48-21(2)39)30(49-22(3)40)31(50-23(4)41)32(52-27)51-25-7-5-24(17-26(25)47-19-37)6-8-28(42)34-9-11-43-13-15-45-16-14-44-12-10-35-36-33;1-20(38)46-19-27-29(47-21(2)39)30(48-22(3)40)31(49-23(4)41)32(51-27)50-26-7-5-24(17-25(26)18-37)6-8-28(42)34-9-11-43-13-15-45-16-14-44-12-10-35-36-33;1-19(36)45-18-26-28(46-20(2)37)29(47-21(3)38)30(48-22(4)39)31(50-26)49-25-7-5-23(17-24(25)40)6-8-27(41)33-9-11-42-13-15-44-16-14-43-12-10-34-35-32;19-22-21-6-8-27-10-12-28-11-9-26-7-5-20-18(25)4-2-15-1-3-17(24)16(13-15)14-23;11-6-8-5-7(1-3-9(8)12)2-4-10(13)14;10-8-4-1-7(2-5-8)3-6-9(11)12/h10,12,22,31,33-36H,11,13-21,23H2,1-9H3,(H,39,46);5,7,17,19,27,29-32H,6,8-16,18H2,1-4H3,(H,34,42);5,7,17-18,27,29-32H,6,8-16,19H2,1-4H3,(H,34,42);5,7,17,26,28-31,40H,6,8-16,18H2,1-4H3,(H,33,41);1,3,13-14,24H,2,4-12H2,(H,20,25);1,3,5-6,12H,2,4H2,(H,13,14);1-2,4-5,10H,3,6H2,(H,11,12)/t31-,33+,34+,35-,36-;2*27-,29+,30+,31-,32-;26-,28+,29+,30-,31-;;;/m1111.../s1.
What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate?
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate has a molecular weight of 3759.90 g/mol, XLogP of 11.91, 116 rotatable bonds, 11 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-(3-formyl-4-hydroxyphenyl)propanamide;3-(3-formyl-4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)propanoic acid;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formyloxyphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-formylphenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2-hydroxyphenoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 163859658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).