1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine

C179H326N2O19S — CID 158429187

IUPAC1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(=O)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](CN(C)C)O[C@H]2C.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2C.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](COS(C)(=O)=O)O[C@H]2C.CCO.CNC.C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C45H81NO3.C44H78O6S.C43H76O4.C37H66O.C6H12O4.C2H7N.C2H6O/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48-43-41(3)47-42(40-46(4)5)44(43)49-45)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(49-42-40(3)48-41(43(42)50-44)39-47-51(4,45)46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46-41-39(3)45-40(38-44)42(41)47-43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5(8)6(9)4(2-7)10-3;1-3-2;1-2-3/h14-17,20-23,41-44H,6-13,18-19,24-40H2,1-5H3;13-16,19-22,40-43H,5-12,17-18,23-39H2,1-4H3;12-15,18-21,39-42,44H,4-11,16-17,22-38H2,1-3H3;11-14,17-20H,3-10,15-16,21-36H2,1-2H3;3-9H,2H2,1H3;3H,1-2H3;3H,2H2,1H3/b16-14-,17-15-,22-20-,23-21-;15-13-,16-14-,21-19-,22-20-;14-12-,15-13-,20-18-,21-19-;13-11-,14-12-,19-17-,20-18-;;;/t41-,42+,43-,44+;40-,41+,42-,43+;39-,40+,41-,42+;;3-,4+,5-,6+;;/m000.0../s1
InChIKeyHBLDZIRAYHXSCK-QUWVINAKSA-N
MW2842.64 g/mol
LogP49.80
Rot. Bonds127

About 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine

1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine (PubChem CID 158429187) has the molecular formula C179H326N2O19S and a molecular weight of 2842.64 g/mol. Its IUPAC name is 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine.

Molecular Properties

Compound Name1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine
PubChem CID158429187
Molecular FormulaC179H326N2O19S
Molecular Weight2842.64 g/mol
Exact Mass2840.43
IUPAC Name1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(=O)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](CN(C)C)O[C@H]2C.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2C.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](COS(C)(=O)=O)O[C@H]2C.CCO.CNC.C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C45H81NO3.C44H78O6S.C43H76O4.C37H66O.C6H12O4.C2H7N.C2H6O/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48-43-41(3)47-42(40-46(4)5)44(43)49-45)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(49-42-40(3)48-41(43(42)50-44)39-47-51(4,45)46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46-41-39(3)45-40(38-44)42(41)47-43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5(8)6(9)4(2-7)10-3;1-3-2;1-2-3/h14-17,20-23,41-44H,6-13,18-19,24-40H2,1-5H3;13-16,19-22,40-43H,5-12,17-18,23-39H2,1-4H3;12-15,18-21,39-42,44H,4-11,16-17,22-38H2,1-3H3;11-14,17-20H,3-10,15-16,21-36H2,1-2H3;3-9H,2H2,1H3;3H,1-2H3;3H,2H2,1H3/b16-14-,17-15-,22-20-,23-21-;15-13-,16-14-,21-19-,22-20-;14-12-,15-13-,20-18-,21-19-;13-11-,14-12-,19-17-,20-18-;;;/t41-,42+,43-,44+;40-,41+,42-,43+;39-,40+,41-,42+;;3-,4+,5-,6+;;/m000.0../s1
InChIKeyHBLDZIRAYHXSCK-QUWVINAKSA-N
XLogP49.80
TPSA269.16 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds127
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002842.64
LogP ≤ 549.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[6-methyl-2,2-bis(octadeca-9,12-dienyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanamine
CID 76686067
(3aR,6S,6aR)-6-(bromomethyl)-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(3aR,6R,6aS)-6-[(dimethylamino)methyl]-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(3R,4R,5S)-5-(bromomethyl)-3,4-dihydroxyoxolan-2-one;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;N-methylmethanamine
CID 158155366
6-[(dimethylamino)methyl]-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 58069491
(3aR,6R,6aR)-6-[(dimethylamino)methyl]-2,2-bis(octadeca-9,12-dienyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 123619949
tetrakis((3aR,6aS)-5-ethyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole);benzyl acetate;benzyl N-(cyclopent-3-en-1-ylmethyl)-N-methylcarbamate;bis(benzyl N-[[(3S,4R)-3,4-dihydroxycyclopentyl]methyl]-N-methylcarbamate);cyclopent-3-en-1-ylmethanol;1-cyclopent-3-en-1-yl-N-methylmethanamine;cyclopent-3-en-1-ylmethyl methanesulfonate;N,N-diethylethanamine;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;methanamine;methane
CID 159963581
[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
CID 140999708
6-(methylaminomethyl)-2,2-bis(octadeca-9,12-dienyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 90904006
1-[(6S,6aS)-4-methoxy-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-N,N-dimethylmethanamine
CID 67475998
1-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]octadeca-9,12-dien-1-one
CID 91396387
hexacosa-17,20-dien-9-one
CID 163047379
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
CID 23651388

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine?
The IUPAC name of 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine (CID 158429187) is 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine.
What is the SMILES notation for 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine?
The canonical SMILES for 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine is CCCCC/C=C\C/C=C\CCCCCCCCC(=O)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](CN(C)C)O[C@H]2C.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2C.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)O[C@@H]2[C@H](O1)[C@@H](COS(C)(=O)=O)O[C@H]2C.CCO.CNC.C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine?
The InChIKey is HBLDZIRAYHXSCK-QUWVINAKSA-N. The full InChI is InChI=1S/C45H81NO3.C44H78O6S.C43H76O4.C37H66O.C6H12O4.C2H7N.C2H6O/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48-43-41(3)47-42(40-46(4)5)44(43)49-45)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(49-42-40(3)48-41(43(42)50-44)39-47-51(4,45)46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46-41-39(3)45-40(38-44)42(41)47-43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5(8)6(9)4(2-7)10-3;1-3-2;1-2-3/h14-17,20-23,41-44H,6-13,18-19,24-40H2,1-5H3;13-16,19-22,40-43H,5-12,17-18,23-39H2,1-4H3;12-15,18-21,39-42,44H,4-11,16-17,22-38H2,1-3H3;11-14,17-20H,3-10,15-16,21-36H2,1-2H3;3-9H,2H2,1H3;3H,1-2H3;3H,2H2,1H3/b16-14-,17-15-,22-20-,23-21-;15-13-,16-14-,21-19-,22-20-;14-12-,15-13-,20-18-,21-19-;13-11-,14-12-,19-17-,20-18-;;;/t41-,42+,43-,44+;40-,41+,42-,43+;39-,40+,41-,42+;;3-,4+,5-,6+;;/m000.0../s1.
What are the key properties of 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine?
1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine has a molecular weight of 2842.64 g/mol, XLogP of 49.80, 127 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-dimethylmethanamine;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol;[(3aR,4R,6S,6aS)-6-methyl-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate;ethanol;(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;N-methylmethanamine is sourced from PubChem (CID 158429187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).