(Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide

C29H45NO6 — CID 157496814

About (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide

(Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide (PubChem CID 157496814) has the molecular formula C29H45NO6 and a molecular weight of 503.68 g/mol. Its IUPAC name is (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
• PubChem CID: 157496814
• Molecular Formula: C29H45NO6
• Molecular Weight: 503.68 g/mol
• Exact Mass: 503.32
• IUPAC Name: (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
• SMILES: CC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C(C)=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]2C)O1
• InChI: InChI=1S/C29H45NO6/c1-17(2)8-11-26(32)30-24-13-19(4)25(35-22(24)7)10-9-18(3)12-20(5)27-28(33)29(16-34-29)15-23(36-27)14-21(6)31/h8-9,11-12,17,19,22-25,27-28,33H,10,13-16H2,1-7H3,(H,30,32)/b11-8-,18-9+,20-12+/t19-,22+,23+,24+,25-,27+,28+,29+/m0/s1
• InChIKey: ILEYHMGMMZEWIC-XSOLIAHMSA-N
• XLogP: 4.05
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.68
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', '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 (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide?

The IUPAC name of (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide (CID 157496814) is (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide.

What is the SMILES notation for (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide?

The canonical SMILES for (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide is CC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C(C)=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]2C)O1.

What is the InChIKey of (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide?

The InChIKey is ILEYHMGMMZEWIC-XSOLIAHMSA-N. The full InChI is InChI=1S/C29H45NO6/c1-17(2)8-11-26(32)30-24-13-19(4)25(35-22(24)7)10-9-18(3)12-20(5)27-28(33)29(16-34-29)15-23(36-27)14-21(6)31/h8-9,11-12,17,19,22-25,27-28,33H,10,13-16H2,1-7H3,(H,30,32)/b11-8-,18-9+,20-12+/t19-,22+,23+,24+,25-,27+,28+,29+/m0/s1.

What are the key properties of (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide?

(Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide has a molecular weight of 503.68 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylhexa-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide is sourced from PubChem (CID 157496814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).