N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate

C233H347N13O59P4 — CID 165106671

IUPACN-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate
SMILES[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(NC(C)=O)C(C)C2C)C(NC(C)=O)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(OC(=O)c3ccccc3)C(C)C2C)C(OC(=O)c2ccccc2)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOCC3OC(OCCC)C(NC(C)=O)C(C)C3C)C(NC(C)=O)C(C)C2C)C(NC(C)=O)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOCC3OC(OCCC)C(OC(=O)c4ccccc4)C(C)C3C)C(OC(=O)c3ccccc3)C(C)C2C)C(OC(=O)c2ccccc2)C(C)C1C)N(C(C)C)C(C)C
InChIInChI=1S/C66H85N2O15P.C63H91N2O17P.C56H83N4O13P.C48H88N5O14P/c1-45(2)68(46(3)4)84(78-36-35-67-9)79-42-38-74-44-59-48(6)49(7)60(82-62(69)51-21-15-12-16-22-51)64(80-59)75-39-37-73-43-58-47(5)50(8)61(83-63(70)52-23-17-13-18-24-52)65(81-58)76-40-41-77-66(53-25-19-14-20-26-53,54-27-31-56(71-10)32-28-54)55-29-33-57(72-11)34-30-55;1-13-30-72-61-55(80-58(66)49-23-17-14-18-24-49)46(9)43(6)52(77-61)38-69-32-35-73-62-56(81-59(67)50-25-19-15-20-26-50)47(10)44(7)53(78-62)39-70-33-36-74-63-57(82-60(68)51-27-21-16-22-28-51)48(11)45(8)54(79-63)40-71-34-37-76-83(75-31-29-64-12)65(41(2)3)42(4)5;1-37(2)60(38(3)4)74(70-28-27-57-11)71-34-30-66-36-51-40(6)41(7)52(58-43(9)61)54(72-51)67-31-29-65-35-50-39(5)42(8)53(59-44(10)62)55(73-50)68-32-33-69-56(45-17-15-14-16-18-45,46-19-23-48(63-12)24-20-46)47-21-25-49(64-13)26-22-47;1-16-18-60-46-43(50-37(12)54)34(9)31(6)40(65-46)26-57-20-23-61-47-44(51-38(13)55)35(10)32(7)41(66-47)27-58-21-24-62-48-45(52-39(14)56)36(11)33(8)42(67-48)28-59-22-25-64-68(63-19-17-49-15)53(29(2)3)30(4)5/h12-34,45-50,58-61,64-65H,35-44H2,1-8,10-11H3;14-28,41-48,52-57,61-63H,13,29-40H2,1-11H3;14-26,37-42,50-55H,27-36H2,1-10,12-13H3,(H,58,61)(H,59,62);29-36,40-48H,16-28H2,1-14H3,(H,50,54)(H,51,55)(H,52,56)
InChIKeyZGFYTFHIODXEBN-UHFFFAOYSA-N
MW4398.27 g/mol
LogP35.96
Rot. Bonds125

About N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate

N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate (PubChem CID 165106671) has the molecular formula C233H347N13O59P4 and a molecular weight of 4398.27 g/mol. Its IUPAC name is N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate.

Molecular Properties

Compound NameN-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate
PubChem CID165106671
Molecular FormulaC233H347N13O59P4
Molecular Weight4398.27 g/mol
Exact Mass4395.35
IUPAC NameN-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate
SMILES[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(NC(C)=O)C(C)C2C)C(NC(C)=O)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(OC(=O)c3ccccc3)C(C)C2C)C(OC(=O)c2ccccc2)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOCC3OC(OCCC)C(NC(C)=O)C(C)C3C)C(NC(C)=O)C(C)C2C)C(NC(C)=O)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOCC3OC(OCCC)C(OC(=O)c4ccccc4)C(C)C3C)C(OC(=O)c3ccccc3)C(C)C2C)C(OC(=O)c2ccccc2)C(C)C1C)N(C(C)C)C(C)C
InChIInChI=1S/C66H85N2O15P.C63H91N2O17P.C56H83N4O13P.C48H88N5O14P/c1-45(2)68(46(3)4)84(78-36-35-67-9)79-42-38-74-44-59-48(6)49(7)60(82-62(69)51-21-15-12-16-22-51)64(80-59)75-39-37-73-43-58-47(5)50(8)61(83-63(70)52-23-17-13-18-24-52)65(81-58)76-40-41-77-66(53-25-19-14-20-26-53,54-27-31-56(71-10)32-28-54)55-29-33-57(72-11)34-30-55;1-13-30-72-61-55(80-58(66)49-23-17-14-18-24-49)46(9)43(6)52(77-61)38-69-32-35-73-62-56(81-59(67)50-25-19-15-20-26-50)47(10)44(7)53(78-62)39-70-33-36-74-63-57(82-60(68)51-27-21-16-22-28-51)48(11)45(8)54(79-63)40-71-34-37-76-83(75-31-29-64-12)65(41(2)3)42(4)5;1-37(2)60(38(3)4)74(70-28-27-57-11)71-34-30-66-36-51-40(6)41(7)52(58-43(9)61)54(72-51)67-31-29-65-35-50-39(5)42(8)53(59-44(10)62)55(73-50)68-32-33-69-56(45-17-15-14-16-18-45,46-19-23-48(63-12)24-20-46)47-21-25-49(64-13)26-22-47;1-16-18-60-46-43(50-37(12)54)34(9)31(6)40(65-46)26-57-20-23-61-47-44(51-38(13)55)35(10)32(7)41(66-47)27-58-21-24-62-48-45(52-39(14)56)36(11)33(8)42(67-48)28-59-22-25-64-68(63-19-17-49-15)53(29(2)3)30(4)5/h12-34,45-50,58-61,64-65H,35-44H2,1-8,10-11H3;14-28,41-48,52-57,61-63H,13,29-40H2,1-11H3;14-26,37-42,50-55H,27-36H2,1-10,12-13H3,(H,58,61)(H,59,62);29-36,40-48H,16-28H2,1-14H3,(H,50,54)(H,51,55)(H,52,56)
InChIKeyZGFYTFHIODXEBN-UHFFFAOYSA-N
XLogP35.96
TPSA713.52 Ų
H-Bond Donors5
H-Bond Acceptors63
Rotatable Bonds125
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004398.27
LogP ≤ 535.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1063

Analyze N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate with MolForge

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Related Compounds

[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-5-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-4-methyloxan-3-yl] benzoate
CID 165073699
N-[6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-[5-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypentoxy]-4,5-dimethyloxan-3-yl]acetamide
CID 165002158
[3-acetamido-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]-5-methyloxan-4-yl] benzoate
CID 164947277
[2-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-6-[[6-[[6-[4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxybutoxymethyl]-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxan-2-yl]oxymethyl]-4,5-dimethyloxan-3-yl] benzoate;[2-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-4,5-dimethyl-6-[[3,4,5-trimethyl-6-[[3,4,5-trimethyl-6-(pentoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-3-yl] benzoate;3-[[di(propan-2-yl)amino]-[5-[6-[[6-[(6-ethyl-3,4,5-trimethyloxan-2-yl)oxymethyl]-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxan-2-yl]oxypentoxy]phosphanyl]oxypropanenitrile
CID 164981760
[5-acetamido-6-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-3-methyloxan-2-yl]methyl N-[(3-methoxyphenyl)methyl]carbamate
CID 165052169
[5-acetamido-4-benzoyloxy-6-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-2-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]oxan-3-yl] benzoate
CID 164788390
[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-[(3-methoxyphenyl)methylcarbamoyloxymethyl]-5-methyloxan-3-yl] benzoate
CID 164996427
N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide
CID 164988983
[5-acetamido-4-benzoyloxy-6-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-2-(hydroxymethyl)oxan-3-yl] benzoate
CID 164788381
[5-acetamido-6-[13-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethyl]amino]-6,13-dioxotridecoxy]-3,4-dimethyloxan-2-yl]methyl acetate;2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-[[2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-(2-hydroxyethyl)amino]ethoxy-hydroxyphosphoryl]oxymethyl]amino]ethyl 2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-(2-methoxyethyl)amino]ethyl hydrogen phosphate;ethane
CID 158749978
[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate
CID 167684645
[6-[2-(benzoyloxymethyl)-6-[16-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2,4-dimethylpentan-3-yl(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,16-dioxohexadecoxy]-4,5-dimethyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl benzoate
CID 160740828

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate?
The IUPAC name of N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate (CID 165106671) is N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate.
What is the SMILES notation for N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate?
The canonical SMILES for N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate is [C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(NC(C)=O)C(C)C2C)C(NC(C)=O)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(OC(=O)c3ccccc3)C(C)C2C)C(OC(=O)c2ccccc2)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOCC3OC(OCCC)C(NC(C)=O)C(C)C3C)C(NC(C)=O)C(C)C2C)C(NC(C)=O)C(C)C1C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOCC1OC(OCCOCC2OC(OCCOCC3OC(OCCC)C(OC(=O)c4ccccc4)C(C)C3C)C(OC(=O)c3ccccc3)C(C)C2C)C(OC(=O)c2ccccc2)C(C)C1C)N(C(C)C)C(C)C.
What is the InChIKey of N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate?
The InChIKey is ZGFYTFHIODXEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H85N2O15P.C63H91N2O17P.C56H83N4O13P.C48H88N5O14P/c1-45(2)68(46(3)4)84(78-36-35-67-9)79-42-38-74-44-59-48(6)49(7)60(82-62(69)51-21-15-12-16-22-51)64(80-59)75-39-37-73-43-58-47(5)50(8)61(83-63(70)52-23-17-13-18-24-52)65(81-58)76-40-41-77-66(53-25-19-14-20-26-53,54-27-31-56(71-10)32-28-54)55-29-33-57(72-11)34-30-55;1-13-30-72-61-55(80-58(66)49-23-17-14-18-24-49)46(9)43(6)52(77-61)38-69-32-35-73-62-56(81-59(67)50-25-19-15-20-26-50)47(10)44(7)53(78-62)39-70-33-36-74-63-57(82-60(68)51-27-21-16-22-28-51)48(11)45(8)54(79-63)40-71-34-37-76-83(75-31-29-64-12)65(41(2)3)42(4)5;1-37(2)60(38(3)4)74(70-28-27-57-11)71-34-30-66-36-51-40(6)41(7)52(58-43(9)61)54(72-51)67-31-29-65-35-50-39(5)42(8)53(59-44(10)62)55(73-50)68-32-33-69-56(45-17-15-14-16-18-45,46-19-23-48(63-12)24-20-46)47-21-25-49(64-13)26-22-47;1-16-18-60-46-43(50-37(12)54)34(9)31(6)40(65-46)26-57-20-23-61-47-44(51-38(13)55)35(10)32(7)41(66-47)27-58-21-24-62-48-45(52-39(14)56)36(11)33(8)42(67-48)28-59-22-25-64-68(63-19-17-49-15)53(29(2)3)30(4)5/h12-34,45-50,58-61,64-65H,35-44H2,1-8,10-11H3;14-28,41-48,52-57,61-63H,13,29-40H2,1-11H3;14-26,37-42,50-55H,27-36H2,1-10,12-13H3,(H,58,61)(H,59,62);29-36,40-48H,16-28H2,1-14H3,(H,50,54)(H,51,55)(H,52,56).
What are the key properties of N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate?
N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate has a molecular weight of 4398.27 g/mol, XLogP of 35.96, 125 rotatable bonds, 5 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[3-acetamido-6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl]acetamide;N-[6-[2-[3-acetamido-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl]acetamide;[6-[2-[3-benzoyloxy-6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-4,5-dimethyl-2-propoxyoxan-3-yl] benzoate;[6-[2-[3-benzoyloxy-6-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxymethyl]-4,5-dimethyloxan-2-yl]oxyethoxymethyl]-2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4,5-dimethyloxan-3-yl] benzoate is sourced from PubChem (CID 165106671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).