2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate

C169H210N24O72 — CID 159541617

IUPAC2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate
SMILESCOCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O
InChIInChI=1S/C45H58N6O18.C44H56N6O18.C42H52N6O18.C38H44N6O18/c1-64-27-22-50-43(61)49(21-24-52)44(62)51(45(50)63)23-28-68-37(55)17-20-48-41(59)46(18-15-35(53)65-2)40(58)47(42(48)60)19-16-36(54)67-25-9-7-5-4-6-8-10-26-69-39(57)34-14-12-31-29-33(38(56)66-3)13-11-32(31)30-34;1-63-26-21-49-42(60)48(20-23-51)43(61)50(44(49)62)22-27-67-36(54)16-19-47-40(58)45(17-14-34(52)64-2)39(57)46(41(47)59)18-15-35(53)66-24-8-6-4-5-7-9-25-68-38(56)33-13-11-30-28-32(37(55)65-3)12-10-31(30)29-33;1-61-24-19-47-40(58)46(18-21-49)41(59)48(42(47)60)20-25-65-34(52)14-17-45-38(56)43(15-12-32(50)62-2)37(55)44(39(45)57)16-13-33(51)64-22-6-4-5-7-23-66-36(54)31-11-9-28-26-30(35(53)63-3)10-8-29(28)27-31;1-57-18-15-43-36(54)42(14-17-45)37(55)44(38(43)56)16-19-60-29(47)9-12-40-33(51)39(11-8-28(46)58-2)34(52)41(35(40)53)13-10-30(48)61-20-21-62-32(50)27-7-5-24-22-26(31(49)59-3)6-4-25(24)23-27/h11-14,29-30,52H,4-10,15-28H2,1-3H3;10-13,28-29,51H,4-9,14-27H2,1-3H3;8-11,26-27,49H,4-7,12-25H2,1-3H3;4-7,22-23,45H,8-21H2,1-3H3
InChIKeyMEHAJLROEGORQW-UHFFFAOYSA-N
MW3729.63 g/mol
LogP-4.48
Rot. Bonds105

About 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate

2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate (PubChem CID 159541617) has the molecular formula C169H210N24O72 and a molecular weight of 3729.63 g/mol. Its IUPAC name is 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate.

Molecular Properties

Compound Name2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate
PubChem CID159541617
Molecular FormulaC169H210N24O72
Molecular Weight3729.63 g/mol
Exact Mass3727.35
IUPAC Name2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate
SMILESCOCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O
InChIInChI=1S/C45H58N6O18.C44H56N6O18.C42H52N6O18.C38H44N6O18/c1-64-27-22-50-43(61)49(21-24-52)44(62)51(45(50)63)23-28-68-37(55)17-20-48-41(59)46(18-15-35(53)65-2)40(58)47(42(48)60)19-16-36(54)67-25-9-7-5-4-6-8-10-26-69-39(57)34-14-12-31-29-33(38(56)66-3)13-11-32(31)30-34;1-63-26-21-49-42(60)48(20-23-51)43(61)50(44(49)62)22-27-67-36(54)16-19-47-40(58)45(17-14-34(52)64-2)39(57)46(41(47)59)18-15-35(53)66-24-8-6-4-5-7-9-25-68-38(56)33-13-11-30-28-32(37(55)65-3)12-10-31(30)29-33;1-61-24-19-47-40(58)46(18-21-49)41(59)48(42(47)60)20-25-65-34(52)14-17-45-38(56)43(15-12-32(50)62-2)37(55)44(39(45)57)16-13-33(51)64-22-6-4-5-7-23-66-36(54)31-11-9-28-26-30(35(53)63-3)10-8-29(28)27-31;1-57-18-15-43-36(54)42(14-17-45)37(55)44(38(43)56)16-19-60-29(47)9-12-40-33(51)39(11-8-28(46)58-2)34(52)41(35(40)53)13-10-30(48)61-20-21-62-32(50)27-7-5-24-22-26(31(49)59-3)6-4-25(24)23-27/h11-14,29-30,52H,4-10,15-28H2,1-3H3;10-13,28-29,51H,4-9,14-27H2,1-3H3;8-11,26-27,49H,4-7,12-25H2,1-3H3;4-7,22-23,45H,8-21H2,1-3H3
InChIKeyMEHAJLROEGORQW-UHFFFAOYSA-N
XLogP-4.48
TPSA1171.84 Ų
H-Bond Donors4
H-Bond Acceptors96
Rotatable Bonds105
Heavy Atoms265
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003729.63
LogP ≤ 5-4.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1096

Computed Properties (RDKit)

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

Analyze 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate?
The IUPAC name of 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate (CID 159541617) is 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate.
What is the SMILES notation for 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate?
The canonical SMILES for 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate is COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCCCCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.COCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)CCn2c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCOC(=O)c3ccc4cc(C(=O)OC)ccc4c3)c2=O)c1=O.
What is the InChIKey of 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate?
The InChIKey is MEHAJLROEGORQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H58N6O18.C44H56N6O18.C42H52N6O18.C38H44N6O18/c1-64-27-22-50-43(61)49(21-24-52)44(62)51(45(50)63)23-28-68-37(55)17-20-48-41(59)46(18-15-35(53)65-2)40(58)47(42(48)60)19-16-36(54)67-25-9-7-5-4-6-8-10-26-69-39(57)34-14-12-31-29-33(38(56)66-3)13-11-32(31)30-34;1-63-26-21-49-42(60)48(20-23-51)43(61)50(44(49)62)22-27-67-36(54)16-19-47-40(58)45(17-14-34(52)64-2)39(57)46(41(47)59)18-15-35(53)66-24-8-6-4-5-7-9-25-68-38(56)33-13-11-30-28-32(37(55)65-3)12-10-31(30)29-33;1-61-24-19-47-40(58)46(18-21-49)41(59)48(42(47)60)20-25-65-34(52)14-17-45-38(56)43(15-12-32(50)62-2)37(55)44(39(45)57)16-13-33(51)64-22-6-4-5-7-23-66-36(54)31-11-9-28-26-30(35(53)63-3)10-8-29(28)27-31;1-57-18-15-43-36(54)42(14-17-45)37(55)44(38(43)56)16-19-60-29(47)9-12-40-33(51)39(11-8-28(46)58-2)34(52)41(35(40)53)13-10-30(48)61-20-21-62-32(50)27-7-5-24-22-26(31(49)59-3)6-4-25(24)23-27/h11-14,29-30,52H,4-10,15-28H2,1-3H3;10-13,28-29,51H,4-9,14-27H2,1-3H3;8-11,26-27,49H,4-7,12-25H2,1-3H3;4-7,22-23,45H,8-21H2,1-3H3.
What are the key properties of 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate?
2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate has a molecular weight of 3729.63 g/mol, XLogP of -4.48, 105 rotatable bonds, 4 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[2-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]ethyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[6-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]hexyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[9-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]nonyl] 6-O-methyl naphthalene-2,6-dicarboxylate;2-O-[8-[3-[3-[3-[2-[3-(2-hydroxyethyl)-5-(2-methoxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoyloxy]octyl] 6-O-methyl naphthalene-2,6-dicarboxylate is sourced from PubChem (CID 159541617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).