About sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate
sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate (PubChem CID 161254238) has the molecular formula C210H312N11NaO84S3
and a molecular weight of 4453.99 g/mol. Its IUPAC name is sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate.
Frequently Asked Questions
What is the IUPAC name of sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate?
The IUPAC name of sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate (CID 161254238) is sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate.
What is the SMILES notation for sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate?
The canonical SMILES for sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate is C.C.C.CCOC(=O)C(CCOCC(CCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12)(COCCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC)COCCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(=O)OCC.COC(=O)[C-](C(=O)OC)C(=O)OC.Cc1ccc(S(=O)(=O)OCCOCC(CCCCCCCNC(=O)OCc2c3ccccc3cc3ccccc23)(COCCOS(=O)(=O)c2ccc(C)cc2)COCCOS(=O)(=O)c2ccc(C)cc2)cc1.O=C(NCCCCCCCC(COCCCC(C(=O)NC(CO)(CO)CO)(C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)(COCCC(C(=O)CC(CO)(CO)CO)(C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)COCCC(C(=O)NC(CO)(CO)CO)(C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)OCc1c2ccccc2cc2ccccc12.[Na+].
What is the InChIKey of sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate?
The InChIKey is JBQODQHQRHKZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H137N9O41.C63H89NO23.C54H65NO14S3.C7H9O6.3CH4.Na/c93-26-72(27-94,28-95)24-61(120)81(62(121)85-73(29-96,30-97)31-98,63(122)86-74(32-99,33-100)34-101)17-21-131-54-71(15-8-2-1-3-9-19-84-70(129)133-25-60-58-13-6-4-11-56(58)23-57-12-5-7-14-59(57)60,55-132-22-18-83(67(126)90-78(44-111,45-112)46-113,68(127)91-79(47-114,48-115)49-116)69(128)92-80(50-117,51-118)52-119)53-130-20-10-16-82(64(123)87-75(35-102,36-103)37-104,65(124)88-76(38-105,39-106)40-107)66(125)89-77(41-108,42-109)43-110;1-10-78-50(65)61(51(66)79-11-2,52(67)80-12-3)33-37-75-42-60(43-76-38-34-62(53(68)81-13-4,54(69)82-14-5)55(70)83-15-6,44-77-39-35-63(56(71)84-16-7,57(72)85-17-8)58(73)86-18-9)32-26-20-19-21-27-36-64-59(74)87-41-49-47-30-24-22-28-45(47)40-46-29-23-25-31-48(46)49;1-42-17-23-47(24-18-42)70(57,58)67-34-31-63-39-54(40-64-32-35-68-71(59,60)48-25-19-43(2)20-26-48,41-65-33-36-69-72(61,62)49-27-21-44(3)22-28-49)29-11-5-4-6-12-30-55-53(56)66-38-52-50-15-9-7-13-45(50)37-46-14-8-10-16-51(46)52;1-11-5(8)4(6(9)12-2)7(10)13-3;;;;/h4-7,11-14,23,93-119H,1-3,8-10,15-22,24-55H2,(H,84,129)(H,85,121)(H,86,122)(H,87,123)(H,88,124)(H,89,125)(H,90,126)(H,91,127)(H,92,128);22-25,28-31,40H,10-21,26-27,32-39,41-44H2,1-9H3,(H,64,74);7-10,13-28,37H,4-6,11-12,29-36,38-41H2,1-3H3,(H,55,56);1-3H3;3*1H4;/q;;;-1;;;;+1.
What are the key properties of sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate?
sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate has a molecular weight of 4453.99 g/mol, XLogP of 0.22, 149 rotatable bonds, 38 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[2-(4-methylphenyl)sulfonyloxyethoxymethyl]nonoxy]ethyl 4-methylbenzenesulfonate;anthracen-9-ylmethyl N-[8-[[3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-7-hydroxy-6,6-bis(hydroxymethyl)-4-oxoheptoxy]methyl]-8-[[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3,3-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-oxobutoxy]methyl]-9-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4,4-bis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-oxopentoxy]nonyl]carbamate;methane;triethyl 3-[9-(anthracen-9-ylmethoxycarbonylamino)-2,2-bis[[4-ethoxy-3,3-bis(ethoxycarbonyl)-4-oxobutoxy]methyl]nonoxy]propane-1,1,1-tricarboxylate;trimethyl methanetricarboxylate is sourced from PubChem (CID 161254238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).