(3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol

C231H463BrN46O53 — CID 159766238

IUPAC(3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol
SMILESCCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN)[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1N)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1NCCN=[N+]=[N-])OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1NCCN=[N+]=[N-])OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN)[C@@H](O)[C@H](O)C1N)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN=[N+]=[N-])[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN=[N+]=[N-])[C@@H](O)[C@H](O)C1N)OC.OCCBr.[N-]=[N+]=NCC=O.[N-]=[N+]=NCC=O.[N-]=[N+]=NCC=O.[N-]=[N+]=NCCO
InChIInChI=1S/C29H58N4O6.2C28H55N7O6.C28H57N5O6.C28H59N3O6.C27H53N3O6.C27H55NO6.C26H52N4O6.C2H5BrO.C2H5N3O.3C2H3N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-37-22-25(36-3)23-38-29-24(2)27(34)28(35)26(39-29)21-31-18-19-32-33-30;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-39-21-23(38-2)22-40-28-25(31-17-18-32-34-29)27(37)26(36)24(41-28)20-33-35-30;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-37-21-23(36-2)22-38-28-25(29)27(35)26(34)24(39-28)20-31-17-18-32-33-30;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-35-21-23(34-2)22-36-28-25(30)27(33)26(32)24(37-28)20-31-18-17-29;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34-20-23(33-3)21-35-27-22(2)25(31)26(32)24(36-27)19-29-30-28;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20-23(31-3)21-33-27-22(2)25(29)26(30)24(19-28)34-27;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34-19-21(33-2)20-35-26-23(27)25(32)24(31)22(36-26)18-29-30-28;3-1-2-4;4*3-5-4-1-2-6/h24-29,31,34-35H,4-23H2,1-3H3;2*23-28,31,36-37H,3-22H2,1-2H3;23-28,31,34-35H,3-22,29H2,1-2H3;23-28,31-33H,3-22,29-30H2,1-2H3;22-27,31-32H,4-21H2,1-3H3;22-27,29-30H,4-21,28H2,1-3H3;21-26,31-32H,3-20,27H2,1-2H3;4H,1-2H2;6H,1-2H2;3*2H,1H2/t24?,25?,26?,27-,28-,29-;4*23?,24?,25?,26-,27-,28-;2*22?,23?,24?,25-,26-,27-;21?,22?,23?,24-,25-,26-;;;;;/m11111111...../s1
InChIKeyNFNMZCPJWFCXEP-BLYLRZEVSA-N
MW4813.42 g/mol
LogP40.83
Rot. Bonds208

About (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol

(3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol (PubChem CID 159766238) has the molecular formula C231H463BrN46O53 and a molecular weight of 4813.42 g/mol. Its IUPAC name is (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol.

Molecular Properties

Compound Name(3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol
PubChem CID159766238
Molecular FormulaC231H463BrN46O53
Molecular Weight4813.42 g/mol
Exact Mass4809.41
IUPAC Name(3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol
SMILESCCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN)[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1N)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1NCCN=[N+]=[N-])OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1NCCN=[N+]=[N-])OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN)[C@@H](O)[C@H](O)C1N)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN=[N+]=[N-])[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN=[N+]=[N-])[C@@H](O)[C@H](O)C1N)OC.OCCBr.[N-]=[N+]=NCC=O.[N-]=[N+]=NCC=O.[N-]=[N+]=NCC=O.[N-]=[N+]=NCCO
InChIInChI=1S/C29H58N4O6.2C28H55N7O6.C28H57N5O6.C28H59N3O6.C27H53N3O6.C27H55NO6.C26H52N4O6.C2H5BrO.C2H5N3O.3C2H3N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-37-22-25(36-3)23-38-29-24(2)27(34)28(35)26(39-29)21-31-18-19-32-33-30;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-39-21-23(38-2)22-40-28-25(31-17-18-32-34-29)27(37)26(36)24(41-28)20-33-35-30;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-37-21-23(36-2)22-38-28-25(29)27(35)26(34)24(39-28)20-31-17-18-32-33-30;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-35-21-23(34-2)22-36-28-25(30)27(33)26(32)24(37-28)20-31-18-17-29;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34-20-23(33-3)21-35-27-22(2)25(31)26(32)24(36-27)19-29-30-28;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20-23(31-3)21-33-27-22(2)25(29)26(30)24(19-28)34-27;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34-19-21(33-2)20-35-26-23(27)25(32)24(31)22(36-26)18-29-30-28;3-1-2-4;4*3-5-4-1-2-6/h24-29,31,34-35H,4-23H2,1-3H3;2*23-28,31,36-37H,3-22H2,1-2H3;23-28,31,34-35H,3-22,29H2,1-2H3;23-28,31-33H,3-22,29-30H2,1-2H3;22-27,31-32H,4-21H2,1-3H3;22-27,29-30H,4-21,28H2,1-3H3;21-26,31-32H,3-20,27H2,1-2H3;4H,1-2H2;6H,1-2H2;3*2H,1H2/t24?,25?,26?,27-,28-,29-;4*23?,24?,25?,26-,27-,28-;2*22?,23?,24?,25-,26-,27-;21?,22?,23?,24-,25-,26-;;;;;/m11111111...../s1
InChIKeyNFNMZCPJWFCXEP-BLYLRZEVSA-N
XLogP40.83
TPSA1486.08 Ų
H-Bond Donors28
H-Bond Acceptors75
Rotatable Bonds208
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004813.42
LogP ≤ 540.83
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1075

Analyze (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol with MolForge

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Related Compounds

(3S,4R,6R)-5-amino-6-[2-[(2R,4R,5S)-3-amino-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hexadecoxypropoxy]-2-(azidomethyl)oxane-3,4-diol
CID 130187895
(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxypropoxy)oxane-3,4-diol
CID 130187897
N-[(2R,3R,4R,5S,6R)-2-[(2S)-3-hexadecoxy-2-methoxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10768639
(3R,4S,6R)-5-azido-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-3,4-dimethyloxane
CID 130187926
(2S,3R,5R)-2-(3-hexadecoxy-2-methoxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71241838
(2R,3S,4R,5R,6R)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropyl]sulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 71696309
N-[(2S)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxo-1-(undecylamino)propan-2-yl]dodecanamide
CID 53350107
2,3-dioctadecoxypropyl N-[6-[[1,3-bis[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-6-oxohexyl]carbamate
CID 91226217
(3S,6R)-6-hexadecoxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 161341969
(2S,3R,4S,5R,6R)-2-[(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecoxy]-6-(azidomethyl)oxane-3,4,5-triol
CID 50940543
[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxypropoxymethyl]propyl] 3-[1-hydroxy-3-(3-methoxypropoxy)propan-2-yl]oxypropyl hydrogen phosphate
CID 163698127
(2R,3R,4S,5R,6R)-2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175541894

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol?
The IUPAC name of (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol (CID 159766238) is (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol.
What is the SMILES notation for (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol?
The canonical SMILES for (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol is CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN)[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1N)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1NCCN=[N+]=[N-])OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CN=[N+]=[N-])[C@@H](O)[C@H](O)C1NCCN=[N+]=[N-])OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN)[C@@H](O)[C@H](O)C1N)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN=[N+]=[N-])[C@@H](O)[C@H](O)C1C)OC.CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CNCCN=[N+]=[N-])[C@@H](O)[C@H](O)C1N)OC.OCCBr.[N-]=[N+]=NCC=O.[N-]=[N+]=NCC=O.[N-]=[N+]=NCC=O.[N-]=[N+]=NCCO.
What is the InChIKey of (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol?
The InChIKey is NFNMZCPJWFCXEP-BLYLRZEVSA-N. The full InChI is InChI=1S/C29H58N4O6.2C28H55N7O6.C28H57N5O6.C28H59N3O6.C27H53N3O6.C27H55NO6.C26H52N4O6.C2H5BrO.C2H5N3O.3C2H3N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-37-22-25(36-3)23-38-29-24(2)27(34)28(35)26(39-29)21-31-18-19-32-33-30;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-39-21-23(38-2)22-40-28-25(31-17-18-32-34-29)27(37)26(36)24(41-28)20-33-35-30;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-37-21-23(36-2)22-38-28-25(29)27(35)26(34)24(39-28)20-31-17-18-32-33-30;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-35-21-23(34-2)22-36-28-25(30)27(33)26(32)24(37-28)20-31-18-17-29;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34-20-23(33-3)21-35-27-22(2)25(31)26(32)24(36-27)19-29-30-28;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20-23(31-3)21-33-27-22(2)25(29)26(30)24(19-28)34-27;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34-19-21(33-2)20-35-26-23(27)25(32)24(31)22(36-26)18-29-30-28;3-1-2-4;4*3-5-4-1-2-6/h24-29,31,34-35H,4-23H2,1-3H3;2*23-28,31,36-37H,3-22H2,1-2H3;23-28,31,34-35H,3-22,29H2,1-2H3;23-28,31-33H,3-22,29-30H2,1-2H3;22-27,31-32H,4-21H2,1-3H3;22-27,29-30H,4-21,28H2,1-3H3;21-26,31-32H,3-20,27H2,1-2H3;4H,1-2H2;6H,1-2H2;3*2H,1H2/t24?,25?,26?,27-,28-,29-;4*23?,24?,25?,26-,27-,28-;2*22?,23?,24?,25-,26-,27-;21?,22?,23?,24-,25-,26-;;;;;/m11111111...../s1.
What are the key properties of (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol?
(3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol has a molecular weight of 4813.42 g/mol, XLogP of 40.83, 208 rotatable bonds, 28 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-5-amino-2-[(2-aminoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-5-amino-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol;(3S,4R,6R)-2-(aminomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;tris(2-azidoacetaldehyde);2-azidoethanol;bis((3S,4R,6R)-5-(2-azidoethylamino)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)oxane-3,4-diol);(3S,4R,6R)-2-[(2-azidoethylamino)methyl]-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;(3S,4R,6R)-2-(azidomethyl)-6-(3-hexadecoxy-2-methoxypropoxy)-5-methyloxane-3,4-diol;2-bromoethanol is sourced from PubChem (CID 159766238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).