About [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane
[5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane (PubChem CID 161086331) has the molecular formula C122H223N13O73S
and a molecular weight of 3072.21 g/mol. Its IUPAC name is [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane.
Frequently Asked Questions
What is the IUPAC name of [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane?
The IUPAC name of [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane (CID 161086331) is [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane.
What is the SMILES notation for [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane?
The canonical SMILES for [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane is C.COCCOCC(=O)NC1C(O)CC(OC=O)(OC(C)C)OC1C(O)C(O)CO.COCCOCCOC(=O)NC(COCCOC)C(=O)NCC(=O)NC1C(O)CC(OC=O)(OC(C)C)OC1C(O)C(O)CO.COCCOCCOC(=O)NC(CSCCOC)C(=O)NCC(=O)NC1C(O)CC(OC=O)(OC(C)C)OC1C(O)C(O)CO.COCCOCCOC(=O)NCC(=O)NC1C(O)CC(OC=O)(OC(C)C)OC1C(O)C(O)CO.COCCOCCOC(=O)NCCCCC(NC(=O)OCCOCCOC)C(=O)NCC(=O)NC1C(O)CC(OC=O)(OC(C)C)OC1C(O)C(O)CO.
What is the InChIKey of [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane?
The InChIKey is UGOHGJAJQVTSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N4O18.C26H47N3O16.C26H47N3O15S.C20H36N2O13.C17H31NO11.CH4/c1-21(2)53-32(52-20-38)17-23(39)26(28(54-32)27(42)24(40)19-37)36-25(41)18-34-29(43)22(35-31(45)51-16-14-49-12-10-47-4)7-5-6-8-33-30(44)50-15-13-48-11-9-46-3;1-16(2)44-26(43-15-31)11-18(32)21(23(45-26)22(35)19(33)13-30)29-20(34)12-27-24(36)17(14-41-8-6-39-4)28-25(37)42-10-9-40-7-5-38-3;1-16(2)43-26(42-15-31)11-18(32)21(23(44-26)22(35)19(33)13-30)29-20(34)12-27-24(36)17(14-45-10-9-39-4)28-25(37)41-8-7-40-6-5-38-3;1-12(2)34-20(33-11-24)8-13(25)16(18(35-20)17(28)14(26)10-23)22-15(27)9-21-19(29)32-7-6-31-5-4-30-3;1-10(2)28-17(27-9-20)6-11(21)14(16(29-17)15(24)12(22)7-19)18-13(23)8-26-5-4-25-3;/h20-24,26-28,37,39-40,42H,5-19H2,1-4H3,(H,33,44)(H,34,43)(H,35,45)(H,36,41);2*15-19,21-23,30,32-33,35H,5-14H2,1-4H3,(H,27,36)(H,28,37)(H,29,34);11-14,16-18,23,25-26,28H,4-10H2,1-3H3,(H,21,29)(H,22,27);9-12,14-16,19,21-22,24H,4-8H2,1-3H3,(H,18,23);1H4.
What are the key properties of [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane?
[5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane has a molecular weight of 3072.21 g/mol, XLogP of -15.15, 104 rotatable bonds, 33 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane is sourced from PubChem (CID 161086331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).