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

C217H432O46 — CID 159929924

IUPAC1-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
SMILESCCC(CO)OC(=O)CCCCCCCC(O)C(O)CCCCCCO.CCC(CO)OC(=O)CCCCCCCC(O)CCCCCCCO.CCC(CO)OC(=O)CCCCCCCCC(O)CCCCCCO.CCC(CO)OC(=O)CCCCCCCCCCCCCCCO.CCCCCCC(O)C(O)CCCCCCCC(=O)OC(CC)CO.CCCCCCC(O)CCCCCCCCC(=O)OC(CC)CO.CCCCCCC1OC1CCCCCCCC(=O)OC(CC)CO.CCCCCCCC(O)CCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCCCC(=O)OC(CC)CO
InChIInChI=1S/C20H40O6.3C20H40O5.C20H38O4.3C20H40O4.C20H40O3.C19H38O3.C18H36O3/c1-2-17(16-22)26-20(25)14-10-5-3-4-8-12-18(23)19(24)13-9-6-7-11-15-21;1-3-5-6-10-13-18(22)19(23)14-11-8-7-9-12-15-20(24)25-17(4-2)16-21;1-2-19(17-22)25-20(24)15-11-7-3-5-9-13-18(23)14-10-6-4-8-12-16-21;1-2-19(17-22)25-20(24)15-11-6-4-3-5-9-13-18(23)14-10-7-8-12-16-21;1-3-5-6-10-13-18-19(24-18)14-11-8-7-9-12-15-20(22)23-17(4-2)16-21;1-3-5-6-11-14-18(22)15-12-9-7-8-10-13-16-20(23)24-19(4-2)17-21;1-3-5-6-8-11-14-18(22)15-12-9-7-10-13-16-20(23)24-19(4-2)17-21;1-2-19(18-22)24-20(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19(4-2)18-21;1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18(4-2)17-20;1-3-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17(4-2)16-19/h17-19,21-24H,2-16H2,1H3;17-19,21-23H,3-16H2,1-2H3;2*18-19,21-23H,2-17H2,1H3;17-19,21H,3-16H2,1-2H3;2*18-19,21-22H,3-17H2,1-2H3;19,21-22H,2-18H2,1H3;19,21H,3-18H2,1-2H3;18,20H,3-17H2,1-2H3;17,19H,3-16H2,1-2H3
InChIKeyNZMVWWYVRMNLQR-UHFFFAOYSA-N
MW3777.80 g/mol
LogP49.07
Rot. Bonds187

About 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

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 (PubChem CID 159929924) has the molecular formula C217H432O46 and a molecular weight of 3777.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159929924
Molecular FormulaC217H432O46
Molecular Weight3777.80 g/mol
Exact Mass3775.15
IUPAC Name1-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
SMILESCCC(CO)OC(=O)CCCCCCCC(O)C(O)CCCCCCO.CCC(CO)OC(=O)CCCCCCCC(O)CCCCCCCO.CCC(CO)OC(=O)CCCCCCCCC(O)CCCCCCO.CCC(CO)OC(=O)CCCCCCCCCCCCCCCO.CCCCCCC(O)C(O)CCCCCCCC(=O)OC(CC)CO.CCCCCCC(O)CCCCCCCCC(=O)OC(CC)CO.CCCCCCC1OC1CCCCCCCC(=O)OC(CC)CO.CCCCCCCC(O)CCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCCCC(=O)OC(CC)CO
InChIInChI=1S/C20H40O6.3C20H40O5.C20H38O4.3C20H40O4.C20H40O3.C19H38O3.C18H36O3/c1-2-17(16-22)26-20(25)14-10-5-3-4-8-12-18(23)19(24)13-9-6-7-11-15-21;1-3-5-6-10-13-18(22)19(23)14-11-8-7-9-12-15-20(24)25-17(4-2)16-21;1-2-19(17-22)25-20(24)15-11-7-3-5-9-13-18(23)14-10-6-4-8-12-16-21;1-2-19(17-22)25-20(24)15-11-6-4-3-5-9-13-18(23)14-10-7-8-12-16-21;1-3-5-6-10-13-18-19(24-18)14-11-8-7-9-12-15-20(22)23-17(4-2)16-21;1-3-5-6-11-14-18(22)15-12-9-7-8-10-13-16-20(23)24-19(4-2)17-21;1-3-5-6-8-11-14-18(22)15-12-9-7-10-13-16-20(23)24-19(4-2)17-21;1-2-19(18-22)24-20(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19(4-2)18-21;1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18(4-2)17-20;1-3-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17(4-2)16-19/h17-19,21-24H,2-16H2,1H3;17-19,21-23H,3-16H2,1-2H3;2*18-19,21-23H,2-17H2,1H3;17-19,21H,3-16H2,1-2H3;2*18-19,21-22H,3-17H2,1-2H3;19,21-22H,2-18H2,1H3;19,21H,3-18H2,1-2H3;18,20H,3-17H2,1-2H3;17,19H,3-16H2,1-2H3
InChIKeyNZMVWWYVRMNLQR-UHFFFAOYSA-N
XLogP49.07
TPSA767.12 Ų
H-Bond Donors23
H-Bond Acceptors46
Rotatable Bonds187
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003777.80
LogP ≤ 549.07
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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 8-(3-octyloxiran-2-yl)octanoate;2-hydroxybutyl 9,10,18-trihydroxyoctadecanoate
CID 157120686
10,11-dihydroxyheptadecan-2-one;10,17-dihydroxyheptadecan-2-one;11,17-dihydroxyheptadecan-2-one;9-(3-hexyloxiran-2-yl)nonan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;17-hydroxyheptadecan-2-one;10,11,17-trihydroxyheptadecan-2-one
CID 158349783
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
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
1-hydroxybutan-2-yl docosanoate
CID 162164384
methyl (9R)-9-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undecanoate
CID 11976908
1-[8-(3-octyloxiran-2-yl)octanoyloxy]propan-2-yl 10-hydroxyoctadecanoate
CID 89242229
ditridecan-7-yl 7-hydroxytridecanedioate
CID 166055317
[3-(9,10-dihydroxydecanoyloxy)-2-heptadecanoyloxypropyl] 9,10-dihydroxyoctadecanoate
CID 118408449
[1-[8-[3-[2-[ethyl(2-hydroxyethyl)amino]-3-hydroxyoctyl]oxiran-2-yl]octanoyloxy]-3-hydroxypropan-2-yl] 9-[ethyl(2-hydroxyethyl)amino]-10-hydroxyoctadecanoate
CID 143927556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CO)OC(=O)CCCCCCCC(O)C(O)CCCCCCO.CCC(CO)OC(=O)CCCCCCCC(O)CCCCCCCO.CCC(CO)OC(=O)CCCCCCCCC(O)CCCCCCO.CCC(CO)OC(=O)CCCCCCCCCCCCCCCO.CCCCCCC(O)C(O)CCCCCCCC(=O)OC(CC)CO.CCCCCCC(O)CCCCCCCCC(=O)OC(CC)CO.CCCCCCC1OC1CCCCCCCC(=O)OC(CC)CO.CCCCCCCC(O)CCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCCC(=O)OC(CC)CO.CCCCCCCCCCCCCCCC(=O)OC(CC)CO.
What is the InChIKey of 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?
The InChIKey is NZMVWWYVRMNLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O6.3C20H40O5.C20H38O4.3C20H40O4.C20H40O3.C19H38O3.C18H36O3/c1-2-17(16-22)26-20(25)14-10-5-3-4-8-12-18(23)19(24)13-9-6-7-11-15-21;1-3-5-6-10-13-18(22)19(23)14-11-8-7-9-12-15-20(24)25-17(4-2)16-21;1-2-19(17-22)25-20(24)15-11-7-3-5-9-13-18(23)14-10-6-4-8-12-16-21;1-2-19(17-22)25-20(24)15-11-6-4-3-5-9-13-18(23)14-10-7-8-12-16-21;1-3-5-6-10-13-18-19(24-18)14-11-8-7-9-12-15-20(22)23-17(4-2)16-21;1-3-5-6-11-14-18(22)15-12-9-7-8-10-13-16-20(23)24-19(4-2)17-21;1-3-5-6-8-11-14-18(22)15-12-9-7-10-13-16-20(23)24-19(4-2)17-21;1-2-19(18-22)24-20(23)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19(4-2)18-21;1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18(4-2)17-20;1-3-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17(4-2)16-19/h17-19,21-24H,2-16H2,1H3;17-19,21-23H,3-16H2,1-2H3;2*18-19,21-23H,2-17H2,1H3;17-19,21H,3-16H2,1-2H3;2*18-19,21-22H,3-17H2,1-2H3;19,21-22H,2-18H2,1H3;19,21H,3-18H2,1-2H3;18,20H,3-17H2,1-2H3;17,19H,3-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3777.80 g/mol, XLogP of 49.07, 187 rotatable bonds, 23 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159929924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).