(2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide

C30H39NO10 — CID 168989224

About (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide

(2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide (PubChem CID 168989224) has the molecular formula C30H39NO10 and a molecular weight of 573.64 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide
• PubChem CID: 168989224
• Molecular Formula: C30H39NO10
• Molecular Weight: 573.64 g/mol
• Exact Mass: 573.26
• IUPAC Name: (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide
• SMILES: CC1=CC2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC[C@@H](C)[C@@H](NC(=O)[C@@H](C)O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
• InChI: InChI=1S/C30H39NO10/c1-17-9-11-29-15-38-27(36)25(31-26(35)19(3)32)18(2)10-12-37-23(33)7-5-6-8-24(34)41-20-14-22(40-21(29)13-17)30(16-39-30)28(20,29)4/h5-8,13,18-22,25,32H,9-12,14-16H2,1-4H3,(H,31,35)/b7-5+,8-6-/t18-,19-,20-,21?,22-,25-,28-,29-,30+/m1/s1
• InChIKey: VCJDZZRJCUZIFC-VOMDDHHPSA-N
• XLogP: 1.68
• TPSA: 149.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.64
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide?

The IUPAC name of (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide (CID 168989224) is (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide.

What is the SMILES notation for (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide?

The canonical SMILES for (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide is CC1=CC2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC[C@@H](C)[C@@H](NC(=O)[C@@H](C)O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1.

What is the InChIKey of (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide?

The InChIKey is VCJDZZRJCUZIFC-VOMDDHHPSA-N. The full InChI is InChI=1S/C30H39NO10/c1-17-9-11-29-15-38-27(36)25(31-26(35)19(3)32)18(2)10-12-37-23(33)7-5-6-8-24(34)41-20-14-22(40-21(29)13-17)30(16-39-30)28(20,29)4/h5-8,13,18-22,25,32H,9-12,14-16H2,1-4H3,(H,31,35)/b7-5+,8-6-/t18-,19-,20-,21?,22-,25-,28-,29-,30+/m1/s1.

What are the key properties of (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide?

(2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide has a molecular weight of 573.64 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-hydroxy-N-[(1R,8R,12R,13R,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-12-yl]propanamide is sourced from PubChem (CID 168989224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).