1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane

C279H576O69 — CID 163642248

IUPAC1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC(CO)CO.CCCCCCCCC(O)CCCCCCCCC(=O)OC(CO)CO.CCCCCCCCC1OC1CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCC(O)CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.O=C(CCCCCCC/C=C/CCCCCCO)OC(CO)CO.O=C(CCCCCCC/C=C\CCCCCCO)OC(CO)CO.O=C(CCCCCCCC(O)C(O)CCCCCCCCO)OC(CO)CO.O=C(CCCCCCCC(O)CCCCCCCCCO)OC(CO)CO.O=C(CCCCCCCC1OC1CCCCCCO)OC(CO)CO.O=C(CCCCCCCCC(O)CCCCCCCCO)OC(CO)CO.O=C(CCCCCCCCCCCCCCCCCO)OC(CO)CO
InChIInChI=1S/C21H42O7.3C21H42O6.C21H40O5.3C21H42O5.C21H42O4.C20H40O4.C19H36O6.2C19H36O5.13CH4/c22-15-11-7-2-1-4-8-12-19(25)20(26)13-9-5-3-6-10-14-21(27)28-18(16-23)17-24;22-16-12-8-4-3-6-10-14-19(25)13-9-5-1-2-7-11-15-21(26)27-20(17-23)18-24;1-2-3-4-5-7-10-13-19(24)20(25)14-11-8-6-9-12-15-21(26)27-18(16-22)17-23;22-16-12-8-3-1-2-5-9-13-19(25)14-10-6-4-7-11-15-21(26)27-20(17-23)18-24;1-2-3-4-5-7-10-13-19-20(26-19)14-11-8-6-9-12-15-21(24)25-18(16-22)17-23;1-2-3-4-5-8-11-14-19(24)15-12-9-6-7-10-13-16-21(25)26-20(17-22)18-23;1-2-3-4-5-6-8-11-14-19(24)15-12-9-7-10-13-16-21(25)26-20(17-22)18-23;22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21(25)26-20(18-23)19-24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-19(17-21)18-22;20-13-9-5-4-7-11-18-17(25-18)10-6-2-1-3-8-12-19(23)24-16(14-21)15-22;2*20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(23)24-18(16-21)17-22;;;;;;;;;;;;;/h18-20,22-26H,1-17H2;19-20,22-25H,1-18H2;18-20,22-25H,2-17H2,1H3;19-20,22-25H,1-18H2;18-20,22-23H,2-17H2,1H3;2*19-20,22-24H,2-18H2,1H3;20,22-24H,1-19H2;20,22-23H,2-19H2,1H3;19,21-22H,2-18H2,1H3;16-18,20-22H,1-15H2;2*1,3,18,20-22H,2,4-17H2;13*1H4/b;;;;;;;;;;;3-1+;3-1-;;;;;;;;;;;;;
InChIKeyIFGKZQKHXYGKSX-SGHBFJMKSA-N
MW5035.61 g/mol
LogP54.51
Rot. Bonds243

About 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane

1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane (PubChem CID 163642248) has the molecular formula C279H576O69 and a molecular weight of 5035.61 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane
PubChem CID163642248
Molecular FormulaC279H576O69
Molecular Weight5035.61 g/mol
Exact Mass5032.16
IUPAC Name1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC(CO)CO.CCCCCCCCC(O)CCCCCCCCC(=O)OC(CO)CO.CCCCCCCCC1OC1CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCC(O)CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.O=C(CCCCCCC/C=C/CCCCCCO)OC(CO)CO.O=C(CCCCCCC/C=C\CCCCCCO)OC(CO)CO.O=C(CCCCCCCC(O)C(O)CCCCCCCCO)OC(CO)CO.O=C(CCCCCCCC(O)CCCCCCCCCO)OC(CO)CO.O=C(CCCCCCCC1OC1CCCCCCO)OC(CO)CO.O=C(CCCCCCCCC(O)CCCCCCCCO)OC(CO)CO.O=C(CCCCCCCCCCCCCCCCCO)OC(CO)CO
InChIInChI=1S/C21H42O7.3C21H42O6.C21H40O5.3C21H42O5.C21H42O4.C20H40O4.C19H36O6.2C19H36O5.13CH4/c22-15-11-7-2-1-4-8-12-19(25)20(26)13-9-5-3-6-10-14-21(27)28-18(16-23)17-24;22-16-12-8-4-3-6-10-14-19(25)13-9-5-1-2-7-11-15-21(26)27-20(17-23)18-24;1-2-3-4-5-7-10-13-19(24)20(25)14-11-8-6-9-12-15-21(26)27-18(16-22)17-23;22-16-12-8-3-1-2-5-9-13-19(25)14-10-6-4-7-11-15-21(26)27-20(17-23)18-24;1-2-3-4-5-7-10-13-19-20(26-19)14-11-8-6-9-12-15-21(24)25-18(16-22)17-23;1-2-3-4-5-8-11-14-19(24)15-12-9-6-7-10-13-16-21(25)26-20(17-22)18-23;1-2-3-4-5-6-8-11-14-19(24)15-12-9-7-10-13-16-21(25)26-20(17-22)18-23;22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21(25)26-20(18-23)19-24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-19(17-21)18-22;20-13-9-5-4-7-11-18-17(25-18)10-6-2-1-3-8-12-19(23)24-16(14-21)15-22;2*20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(23)24-18(16-21)17-22;;;;;;;;;;;;;/h18-20,22-26H,1-17H2;19-20,22-25H,1-18H2;18-20,22-25H,2-17H2,1H3;19-20,22-25H,1-18H2;18-20,22-23H,2-17H2,1H3;2*19-20,22-24H,2-18H2,1H3;20,22-24H,1-19H2;20,22-23H,2-19H2,1H3;19,21-22H,2-18H2,1H3;16-18,20-22H,1-15H2;2*1,3,18,20-22H,2,4-17H2;13*1H4/b;;;;;;;;;;;3-1+;3-1-;;;;;;;;;;;;;
InChIKeyIFGKZQKHXYGKSX-SGHBFJMKSA-N
XLogP54.51
TPSA1196.39 Ų
H-Bond Donors41
H-Bond Acceptors69
Rotatable Bonds243
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005035.61
LogP ≤ 554.51
H-Bond Donors ≤ 541
H-Bond Acceptors ≤ 1069

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane with MolForge

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Launch Full Analysis

Related Compounds

1-hydroxybutan-2-yl 9,10-dihydroxyhexadecanoate;1-hydroxybutan-2-yl 9,16-dihydroxyhexadecanoate;1-hydroxybutan-2-yl 10,16-dihydroxyhexadecanoate;1-hydroxybutan-2-yl hexadecanoate;1-hydroxybutan-2-yl 8-(3-hexyloxiran-2-yl)octanoate;1-hydroxybutan-2-yl 9-hydroxyhexadecanoate;1-hydroxybutan-2-yl 10-hydroxyhexadecanoate;1-hydroxybutan-2-yl 16-hydroxyhexadecanoate;1-hydroxybutan-2-yl pentadecanoate;1-hydroxybutan-2-yl tetradecanoate;1-hydroxybutan-2-yl 9,10,16-trihydroxyhexadecanoate
CID 159929924
ethyl 9,10-dihydroxyoctadecanoate;ethyl 9,18-dihydroxyoctadecanoate;ethyl 10,18-dihydroxyoctadecanoate;ethyl heptadecanoate;ethyl 10-hydroxyoctadecanoate;ethyl 18-hydroxyoctadecanoate;ethyl octadecanoate;ethyl (Z)-octadec-9-enoate;ethyl (E)-octadec-9-enoate;ethyl 8-(3-octyloxiran-2-yl)octanoate;ethyl 9,10,18-trihydroxyoctadecanoate;methane
CID 158772182
methyl heptadecanoate;methyl (Z)-hexadec-9-enoate;methyl (E)-hexadec-9-enoate;methyl 8-(3-hexyloxiran-2-yl)octanoate;methyl (Z)-16-hydroxyhexadec-9-enoate;methyl (E)-16-hydroxyhexadec-9-enoate;methyl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;methyl 9-hydroxyoctadecanoate;methyl octadecanoate;methyl 9,10,16-trihydroxyhexadecanoate
CID 159203057
2-hydroxybutyl 9,10-dihydroxyhexadecanoate;2-hydroxybutyl hexadecanoate;2-hydroxybutyl 9-hydroxyhexadecanoate;2-hydroxybutyl 10-hydroxyhexadecanoate;2-hydroxybutyl (Z)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl (E)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoate;2-hydroxybutyl (Z)-octadec-9-enoate;2-hydroxybutyl (E)-octadec-9-enoate
CID 158677102
methyl 9,16-dihydroxyhexadecanoate;methyl 10,16-dihydroxyhexadecanoate;methyl (Z)-hexadec-9-enoate;methyl (E)-hexadec-9-enoate;methyl 16-hydroxyhexadecanoate;methyl (Z)-16-hydroxyhexadec-9-enoate;methyl (E)-16-hydroxyhexadec-9-enoate;methyl 9,10,16-trihydroxyhexadecanoate
CID 160677125
ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate
CID 159123238
2-hydroxybutyl 9,18-dihydroxyoctadecanoate;2-hydroxybutyl 10,18-dihydroxyoctadecanoate;2-hydroxybutyl 18-hydroxyoctadecanoate;2-hydroxybutyl (Z)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl (E)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl (Z)-octadec-9-enoate;2-hydroxybutyl (E)-octadec-9-enoate;2-hydroxybutyl 9,10,18-trihydroxyoctadecanoate
CID 167673787
2-hydroxybutyl 9,10-dihydroxyoctadecanoate;2-hydroxybutyl 9,18-dihydroxyoctadecanoate;2-hydroxybutyl 10,18-dihydroxyoctadecanoate;2-hydroxybutyl 9-hydroxyoctadecanoate;2-hydroxybutyl 10-hydroxyoctadecanoate;2-hydroxybutyl 18-hydroxyoctadecanoate;2-hydroxybutyl octadecanoate;2-hydroxybutyl (E)-octadec-9-enoate;2-hydroxybutyl 9,10,18-trihydroxyoctadecanoate
CID 158613924
[(2S)-3-hydroxy-2-[(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxypropyl] tridecanoate
CID 157003044
[(2S)-1-hydroxy-3-[8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoyloxy]propan-2-yl] 13-methyltetradecanoate
CID 157007153
[(2S)-3-hydroxy-2-[8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoyloxy]propyl] 15-methylhexadecanoate
CID 157007567
[(2S)-3-hydroxy-2-[(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxypropyl] 13-methyltetradecanoate
CID 157007156

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane?
The IUPAC name of 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane (CID 163642248) is 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane?
The canonical SMILES for 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC(CO)CO.CCCCCCCCC(O)CCCCCCCCC(=O)OC(CO)CO.CCCCCCCCC1OC1CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCC(O)CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.O=C(CCCCCCC/C=C/CCCCCCO)OC(CO)CO.O=C(CCCCCCC/C=C\CCCCCCO)OC(CO)CO.O=C(CCCCCCCC(O)C(O)CCCCCCCCO)OC(CO)CO.O=C(CCCCCCCC(O)CCCCCCCCCO)OC(CO)CO.O=C(CCCCCCCC1OC1CCCCCCO)OC(CO)CO.O=C(CCCCCCCCC(O)CCCCCCCCO)OC(CO)CO.O=C(CCCCCCCCCCCCCCCCCO)OC(CO)CO.
What is the InChIKey of 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane?
The InChIKey is IFGKZQKHXYGKSX-SGHBFJMKSA-N. The full InChI is InChI=1S/C21H42O7.3C21H42O6.C21H40O5.3C21H42O5.C21H42O4.C20H40O4.C19H36O6.2C19H36O5.13CH4/c22-15-11-7-2-1-4-8-12-19(25)20(26)13-9-5-3-6-10-14-21(27)28-18(16-23)17-24;22-16-12-8-4-3-6-10-14-19(25)13-9-5-1-2-7-11-15-21(26)27-20(17-23)18-24;1-2-3-4-5-7-10-13-19(24)20(25)14-11-8-6-9-12-15-21(26)27-18(16-22)17-23;22-16-12-8-3-1-2-5-9-13-19(25)14-10-6-4-7-11-15-21(26)27-20(17-23)18-24;1-2-3-4-5-7-10-13-19-20(26-19)14-11-8-6-9-12-15-21(24)25-18(16-22)17-23;1-2-3-4-5-8-11-14-19(24)15-12-9-6-7-10-13-16-21(25)26-20(17-22)18-23;1-2-3-4-5-6-8-11-14-19(24)15-12-9-7-10-13-16-21(25)26-20(17-22)18-23;22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21(25)26-20(18-23)19-24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-19(17-21)18-22;20-13-9-5-4-7-11-18-17(25-18)10-6-2-1-3-8-12-19(23)24-16(14-21)15-22;2*20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(23)24-18(16-21)17-22;;;;;;;;;;;;;/h18-20,22-26H,1-17H2;19-20,22-25H,1-18H2;18-20,22-25H,2-17H2,1H3;19-20,22-25H,1-18H2;18-20,22-23H,2-17H2,1H3;2*19-20,22-24H,2-18H2,1H3;20,22-24H,1-19H2;20,22-23H,2-19H2,1H3;19,21-22H,2-18H2,1H3;16-18,20-22H,1-15H2;2*1,3,18,20-22H,2,4-17H2;13*1H4/b;;;;;;;;;;;3-1+;3-1-;;;;;;;;;;;;;.
What are the key properties of 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane?
1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane has a molecular weight of 5035.61 g/mol, XLogP of 54.51, 243 rotatable bonds, 41 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-yl 9,10-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 9,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10,18-dihydroxyoctadecanoate;1,3-dihydroxypropan-2-yl heptadecanoate;1,3-dihydroxypropan-2-yl (Z)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl (E)-16-hydroxyhexadec-9-enoate;1,3-dihydroxypropan-2-yl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;1,3-dihydroxypropan-2-yl 9-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 10-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl 18-hydroxyoctadecanoate;1,3-dihydroxypropan-2-yl octadecanoate;1,3-dihydroxypropan-2-yl 8-(3-octyloxiran-2-yl)octanoate;1,3-dihydroxypropan-2-yl 9,10,18-trihydroxyoctadecanoate;methane is sourced from PubChem (CID 163642248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).