methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate

C123H174N30O74 — CID 160945651

IUPACmethyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate
SMILESC=CCOC(=O)CCn1c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.CCOC(=O)CCn1c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCCO)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCO)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c(=O)n(CCC(=O)OCC(O)CO)c1=O
InChIInChI=1S/C25H36N6O16.C25H36N6O15.C25H34N6O14.C24H34N6O15.C24H34N6O14/c1-45-17(36)2-5-26-20(39)27(22(41)28(21(26)40)7-4-19(38)47-15-16(35)14-34)6-3-18(37)46-13-10-31-24(43)29(8-11-32)23(42)30(9-12-33)25(31)44;1-44-17(35)3-6-26-20(38)27(7-4-18(36)45-15-2-12-32)22(40)28(21(26)39)8-5-19(37)46-16-11-31-24(42)29(9-13-33)23(41)30(10-14-34)25(31)43;1-3-15-44-18(35)5-8-27-20(37)26(7-4-17(34)43-2)21(38)28(22(27)39)9-6-19(36)45-16-12-31-24(41)29(10-13-32)23(40)30(11-14-33)25(31)42;1-43-16(34)2-5-25-19(37)26(21(39)27(20(25)38)7-4-18(36)45-15-13-33)6-3-17(35)44-14-10-30-23(41)28(8-11-31)22(40)29(9-12-32)24(30)42;1-3-43-17(34)5-8-26-19(36)25(7-4-16(33)42-2)20(37)27(21(26)38)9-6-18(35)44-15-12-30-23(40)28(10-13-31)22(39)29(11-14-32)24(30)41/h16,32-35H,2-15H2,1H3;32-34H,2-16H2,1H3;3,32-33H,1,4-16H2,2H3;31-33H,2-15H2,1H3;31-32H,3-15H2,1-2H3
InChIKeySVBLCPRMWAQVAA-UHFFFAOYSA-N
MW3256.88 g/mol
LogP-29.21
Rot. Bonds91

About methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate

methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate (PubChem CID 160945651) has the molecular formula C123H174N30O74 and a molecular weight of 3256.88 g/mol. Its IUPAC name is methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate
PubChem CID160945651
Molecular FormulaC123H174N30O74
Molecular Weight3256.88 g/mol
Exact Mass3255.08
IUPAC Namemethyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate
SMILESC=CCOC(=O)CCn1c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.CCOC(=O)CCn1c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCCO)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCO)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c(=O)n(CCC(=O)OCC(O)CO)c1=O
InChIInChI=1S/C25H36N6O16.C25H36N6O15.C25H34N6O14.C24H34N6O15.C24H34N6O14/c1-45-17(36)2-5-26-20(39)27(22(41)28(21(26)40)7-4-19(38)47-15-16(35)14-34)6-3-18(37)46-13-10-31-24(43)29(8-11-32)23(42)30(9-12-33)25(31)44;1-44-17(35)3-6-26-20(38)27(7-4-18(36)45-15-2-12-32)22(40)28(21(26)39)8-5-19(37)46-16-11-31-24(42)29(9-13-33)23(41)30(10-14-34)25(31)43;1-3-15-44-18(35)5-8-27-20(37)26(7-4-17(34)43-2)21(38)28(22(27)39)9-6-19(36)45-16-12-31-24(41)29(10-13-32)23(40)30(11-14-33)25(31)42;1-43-16(34)2-5-25-19(37)26(21(39)27(20(25)38)7-4-18(36)45-15-13-33)6-3-17(35)44-14-10-30-23(41)28(8-11-31)22(40)29(9-12-32)24(30)42;1-3-43-17(34)5-8-26-19(36)25(7-4-16(33)42-2)20(37)27(21(26)38)9-6-18(35)44-15-12-30-23(40)28(10-13-31)22(39)29(11-14-32)24(30)41/h16,32-35H,2-15H2,1H3;32-34H,2-16H2,1H3;3,32-33H,1,4-16H2,2H3;31-33H,2-15H2,1H3;31-32H,3-15H2,1-2H3
InChIKeySVBLCPRMWAQVAA-UHFFFAOYSA-N
XLogP-29.21
TPSA1337.72 Ų
H-Bond Donors14
H-Bond Acceptors104
Rotatable Bonds91
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003256.88
LogP ≤ 5-29.21
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 10104

Computed Properties (RDKit)

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

Analyze methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate?
The IUPAC name of methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate (CID 160945651) is methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate is C=CCOC(=O)CCn1c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.CCOC(=O)CCn1c(=O)n(CCC(=O)OC)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCCO)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCO)c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c1=O.COC(=O)CCn1c(=O)n(CCC(=O)OCCn2c(=O)n(CCO)c(=O)n(CCO)c2=O)c(=O)n(CCC(=O)OCC(O)CO)c1=O.
What is the InChIKey of methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate?
The InChIKey is SVBLCPRMWAQVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O16.C25H36N6O15.C25H34N6O14.C24H34N6O15.C24H34N6O14/c1-45-17(36)2-5-26-20(39)27(22(41)28(21(26)40)7-4-19(38)47-15-16(35)14-34)6-3-18(37)46-13-10-31-24(43)29(8-11-32)23(42)30(9-12-33)25(31)44;1-44-17(35)3-6-26-20(38)27(7-4-18(36)45-15-2-12-32)22(40)28(21(26)39)8-5-19(37)46-16-11-31-24(42)29(9-13-33)23(41)30(10-14-34)25(31)43;1-3-15-44-18(35)5-8-27-20(37)26(7-4-17(34)43-2)21(38)28(22(27)39)9-6-19(36)45-16-12-31-24(41)29(10-13-32)23(40)30(11-14-33)25(31)42;1-43-16(34)2-5-25-19(37)26(21(39)27(20(25)38)7-4-18(36)45-15-13-33)6-3-17(35)44-14-10-30-23(41)28(8-11-31)22(40)29(9-12-32)24(30)42;1-3-43-17(34)5-8-26-19(36)25(7-4-16(33)42-2)20(37)27(21(26)38)9-6-18(35)44-15-12-30-23(40)28(10-13-31)22(39)29(11-14-32)24(30)41/h16,32-35H,2-15H2,1H3;32-34H,2-16H2,1H3;3,32-33H,1,4-16H2,2H3;31-33H,2-15H2,1H3;31-32H,3-15H2,1-2H3.
What are the key properties of methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate?
methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate has a molecular weight of 3256.88 g/mol, XLogP of -29.21, 91 rotatable bonds, 14 hydrogen bond donors, and 104 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(2-hydroxyethoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate;methyl 3-[3-[3-[2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxy]-3-oxopropyl]-2,4,6-trioxo-5-(3-oxo-3-prop-2-enoxypropyl)-1,3,5-triazinan-1-yl]propanoate is sourced from PubChem (CID 160945651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).