[(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium

C250H428N18O37P+ — CID 159032441

IUPAC[(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium
SMILESCCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CC)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CO)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CO[P+](=O)O)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C84H144N6O11.C83H141N6O14P.C83H142N6O12/c1-7-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-61-96-74-65-71(84(95)89(6)60-64-98-78(93)59-57-76(92)88-82-80-83(86-68-85-82)90(69-87-80)77-67-73(72(10-4)100-77)101-79(94)58-56-70(5)91)66-75(97-62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-8-2)81(74)99-63-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-9-3;1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-59-97-72-63-70(64-73(98-60-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)80(72)100-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3)83(94)88(5)58-62-99-77(92)57-55-75(91)87-81-79-82(85-67-84-81)89(68-86-79)76-65-71(74(102-76)66-101-104(95)96)103-78(93)56-54-69(4)90;1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-59-96-72-63-70(83(95)88(5)58-62-98-77(93)57-55-75(92)87-81-79-82(85-67-84-81)89(68-86-79)76-65-71(74(66-90)100-76)101-78(94)56-54-69(4)91)64-73(97-60-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)80(72)99-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3/h65-66,68-69,72-73,77H,7-64,67H2,1-6H3,(H,85,86,88,92);63-64,67-68,71,74,76H,6-62,65-66H2,1-5H3,(H-,84,85,87,91,95,96);63-64,67-68,71,74,76,90H,6-62,65-66H2,1-5H3,(H,84,85,87,92)/p+1/t72-,73?,77-;2*71?,74-,76-/m111/s1
InChIKeyYJDRNPFOGNUCGR-UIBINMJZSA-O
MW4309.24 g/mol
LogP66.12
Rot. Bonds206

About [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium

[(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium (PubChem CID 159032441) has the molecular formula C250H428N18O37P+ and a molecular weight of 4309.24 g/mol. Its IUPAC name is [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Name[(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium
PubChem CID159032441
Molecular FormulaC250H428N18O37P+
Molecular Weight4309.24 g/mol
Exact Mass4306.19
IUPAC Name[(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium
SMILESCCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CC)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CO)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CO[P+](=O)O)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C84H144N6O11.C83H141N6O14P.C83H142N6O12/c1-7-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-61-96-74-65-71(84(95)89(6)60-64-98-78(93)59-57-76(92)88-82-80-83(86-68-85-82)90(69-87-80)77-67-73(72(10-4)100-77)101-79(94)58-56-70(5)91)66-75(97-62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-8-2)81(74)99-63-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-9-3;1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-59-97-72-63-70(64-73(98-60-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)80(72)100-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3)83(94)88(5)58-62-99-77(92)57-55-75(91)87-81-79-82(85-67-84-81)89(68-86-79)76-65-71(74(102-76)66-101-104(95)96)103-78(93)56-54-69(4)90;1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-59-96-72-63-70(83(95)88(5)58-62-98-77(93)57-55-75(92)87-81-79-82(85-67-84-81)89(68-86-79)76-65-71(74(66-90)100-76)101-78(94)56-54-69(4)91)64-73(97-60-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)80(72)99-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3/h65-66,68-69,72-73,77H,7-64,67H2,1-6H3,(H,85,86,88,92);63-64,67-68,71,74,76H,6-62,65-66H2,1-5H3,(H-,84,85,87,91,95,96);63-64,67-68,71,74,76,90H,6-62,65-66H2,1-5H3,(H,84,85,87,92)/p+1/t72-,73?,77-;2*71?,74-,76-/m111/s1
InChIKeyYJDRNPFOGNUCGR-UIBINMJZSA-O
XLogP66.12
TPSA665.56 Ų
H-Bond Donors5
H-Bond Acceptors48
Rotatable Bonds206
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004309.24
LogP ≤ 566.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium with MolForge

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Related Compounds

CD73 probe PSB-19416
CID 162660409
CD73 probe PSB-18332
CID 162673072
CID 44564260
CID 44564260
CID 44564262
CID 44564262
CID 44564264
CID 44564264
[(2R,3S,5R)-5-(2-amino-6-hydroxypurin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-hydroxypurin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-hydroxypurin-9-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;tetrakis(N,N-diethylethanamine)
CID 49796592
N-[6-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphinothioyl]oxyhexyl]-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
CID 56659165
Oligo B
CID 16197784
CID 44564268
CID 44564268
HIV-1 12-mer TAR RNA containing 2'-O-Methyl and 2',4'-locked nucleotides: [5'-LNA(C)-2'-OMe(U)-LNA(C)-2'-OMe(C)-LNA(C)-2'-OMe(A)-2'-OMe(G)-2'-OMe(G)-LNA(C)-2'-OMe(U)-LNA(C)-2'-OMe(A)-L-homoserine-6-carboxyfluorescein]
CID 16131947
HIV-1 12-mer TAR RNA containing 2'-O-methyl nucleotides: 5'-[2'-methoxy(CUCCCAGGCUCA)]-L-homoserine-6-carboxyfluorescein]
CID 16131948
HIV-1 12-mer TAR RNA containing 2'-O-Methyl and 2',4'-locked nucleotides: 5'-[2'-OMe(C)--LNA(T)-2'-OMe(C)-LNA(C)-2'-OMe(C)-LNA(A)-2'-OMe(G)-LNA(G)-2'-OMe(C)-LNA(T)-2'-OMe(C)-2'-OMe(A)-L-homoserine-6-carboxyfluorescein]
CID 16131950

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium?
The IUPAC name of [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium (CID 159032441) is [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium is CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CC)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CO)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOc1cc(C(=O)N(C)CCOC(=O)CCC(=O)Nc2ncnc3c2ncn3[C@H]2CC(OC(=O)CCC(C)=O)[C@@H](CO[P+](=O)O)O2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium?
The InChIKey is YJDRNPFOGNUCGR-UIBINMJZSA-O. The full InChI is InChI=1S/C84H144N6O11.C83H141N6O14P.C83H142N6O12/c1-7-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-61-96-74-65-71(84(95)89(6)60-64-98-78(93)59-57-76(92)88-82-80-83(86-68-85-82)90(69-87-80)77-67-73(72(10-4)100-77)101-79(94)58-56-70(5)91)66-75(97-62-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-8-2)81(74)99-63-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-9-3;1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-59-97-72-63-70(64-73(98-60-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)80(72)100-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3)83(94)88(5)58-62-99-77(92)57-55-75(91)87-81-79-82(85-67-84-81)89(68-86-79)76-65-71(74(102-76)66-101-104(95)96)103-78(93)56-54-69(4)90;1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-59-96-72-63-70(83(95)88(5)58-62-98-77(93)57-55-75(92)87-81-79-82(85-67-84-81)89(68-86-79)76-65-71(74(66-90)100-76)101-78(94)56-54-69(4)91)64-73(97-60-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)80(72)99-61-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3/h65-66,68-69,72-73,77H,7-64,67H2,1-6H3,(H,85,86,88,92);63-64,67-68,71,74,76H,6-62,65-66H2,1-5H3,(H-,84,85,87,91,95,96);63-64,67-68,71,74,76,90H,6-62,65-66H2,1-5H3,(H,84,85,87,92)/p+1/t72-,73?,77-;2*71?,74-,76-/m111/s1.
What are the key properties of [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium?
[(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium has a molecular weight of 4309.24 g/mol, XLogP of 66.12, 206 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 159032441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).