(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane

C85H131N6O20P — CID 162054206

About (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane

(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane (PubChem CID 162054206) has the molecular formula C85H131N6O20P and a molecular weight of 1594.00 g/mol. Its IUPAC name is (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane.

Molecular Properties

• Compound Name: (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane
• PubChem CID: 162054206
• Molecular Formula: C85H131N6O20P
• Molecular Weight: 1594.00 g/mol
• Exact Mass: 1592.94
• IUPAC Name: (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane
• SMILES: C.C.C=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](N)C[C@@H]1C.C=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)c2ccon2)C[C@@H]1C.C=C[C@H]1O[C@H](CC(=O)OC)C[C@@]2(CO2)[C@@H]1O.CC(/C=C\C(=O)O)c1ccon1.COC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\C(C)c3ccon3)C[C@@H]2C)O1.[3H]P([3H])[3H]
• InChI: InChI=1S/C30H42N2O8.C21H30N2O3.C13H23NO.C11H16O5.C8H9NO3.2CH4.H3P/c1-18(7-10-26-29(35)30(17-37-30)16-22(40-26)15-28(34)36-5)6-9-25-20(3)14-24(21(4)39-25)31-27(33)11-8-19(2)23-12-13-38-32-23;1-6-14(2)7-9-20-16(4)13-19(17(5)26-20)22-21(24)10-8-15(3)18-11-12-25-23-18;1-5-9(2)6-7-13-10(3)8-12(14)11(4)15-13;1-3-8-10(13)11(6-15-11)5-7(16-8)4-9(12)14-2;1-6(2-3-8(10)11)7-4-5-12-9-7;;;/h6-8,10-13,19-22,24-26,29,35H,9,14-17H2,1-5H3,(H,31,33);6-8,10-12,15-17,19-20H,1,9,13H2,2-5H3,(H,22,24);5-6,10-13H,1,7-8,14H2,2-4H3;3,7-8,10,13H,1,4-6H2,2H3;2-6H,1H3,(H,10,11);2*1H4;1H3/b10-7+,11-8-,18-6+;10-8-,14-7+;9-6+;;3-2-;;;/t19?,20-,21+,22+,24+,25-,26+,29+,30+;15?,16-,17+,19+,20-;10-,11+,12+,13-;7-,8-,10-,11-;;;;/m0001..../s1/i;;;;;;;1T3
• InChIKey: YYYNLAXXCADLRG-OLNJIVJFSA-N
• XLogP: 12.95
• TPSA: 363.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1594.00
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane?

The IUPAC name of (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane (CID 162054206) is (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane.

What is the SMILES notation for (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane?

The canonical SMILES for (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane is C.C.C=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](N)C[C@@H]1C.C=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)c2ccon2)C[C@@H]1C.C=C[C@H]1O[C@H](CC(=O)OC)C[C@@]2(CO2)[C@@H]1O.CC(/C=C\C(=O)O)c1ccon1.COC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\C(C)c3ccon3)C[C@@H]2C)O1.[3H]P([3H])[3H].

What is the InChIKey of (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane?

The InChIKey is YYYNLAXXCADLRG-OLNJIVJFSA-N. The full InChI is InChI=1S/C30H42N2O8.C21H30N2O3.C13H23NO.C11H16O5.C8H9NO3.2CH4.H3P/c1-18(7-10-26-29(35)30(17-37-30)16-22(40-26)15-28(34)36-5)6-9-25-20(3)14-24(21(4)39-25)31-27(33)11-8-19(2)23-12-13-38-32-23;1-6-14(2)7-9-20-16(4)13-19(17(5)26-20)22-21(24)10-8-15(3)18-11-12-25-23-18;1-5-9(2)6-7-13-10(3)8-12(14)11(4)15-13;1-3-8-10(13)11(6-15-11)5-7(16-8)4-9(12)14-2;1-6(2-3-8(10)11)7-4-5-12-9-7;;;/h6-8,10-13,19-22,24-26,29,35H,9,14-17H2,1-5H3,(H,31,33);6-8,10-12,15-17,19-20H,1,9,13H2,2-5H3,(H,22,24);5-6,10-13H,1,7-8,14H2,2-4H3;3,7-8,10,13H,1,4-6H2,2H3;2-6H,1H3,(H,10,11);2*1H4;1H3/b10-7+,11-8-,18-6+;10-8-,14-7+;9-6+;;3-2-;;;/t19?,20-,21+,22+,24+,25-,26+,29+,30+;15?,16-,17+,19+,20-;10-,11+,12+,13-;7-,8-,10-,11-;;;;/m0001..../s1/i;;;;;;;1T3.

What are the key properties of (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane?

(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane has a molecular weight of 1594.00 g/mol, XLogP of 12.95, 26 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine;(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-(1,2-oxazol-3-yl)pent-2-enamide;methane;methyl 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-(1,2-oxazol-3-yl)pent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;methyl 2-[(3R,4R,5R,7S)-5-ethenyl-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetate;(Z)-4-(1,2-oxazol-3-yl)pent-2-enoic acid;tritritiophosphane is sourced from PubChem (CID 162054206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).