5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium

C24H42N4O5V — CID 158115764

About 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium

5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium (PubChem CID 158115764) has the molecular formula C24H42N4O5V and a molecular weight of 517.57 g/mol. Its IUPAC name is 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium.

Molecular Properties

• Compound Name: 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium
• PubChem CID: 158115764
• Molecular Formula: C24H42N4O5V
• Molecular Weight: 517.57 g/mol
• Exact Mass: 517.26
• IUPAC Name: 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium
• SMILES: CCC(C)[C@@H](C)[C@@H](C)C(N=[N+]=[N-])C1CCC(=O)O1.C[C@H]1[C@@H](C)C2C(O)CCC(=O)N2[C@H]1CO.[V]
• InChI: InChI=1S/C13H23N3O2.C11H19NO3.V/c1-5-8(2)9(3)10(4)13(15-16-14)11-6-7-12(17)18-11;1-6-7(2)11-9(14)3-4-10(15)12(11)8(6)5-13;/h8-11,13H,5-7H2,1-4H3;6-9,11,13-14H,3-5H2,1-2H3;/t8?,9-,10-,11?,13?;6-,7+,8-,9?,11?;/m10./s1
• InChIKey: FQZFZUNURSXFIS-XQLAEHHSSA-N
• XLogP: 3.67
• TPSA: 135.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.57
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium?

The IUPAC name of 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium (CID 158115764) is 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium.

What is the SMILES notation for 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium?

The canonical SMILES for 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium is CCC(C)[C@@H](C)[C@@H](C)C(N=[N+]=[N-])C1CCC(=O)O1.C[C@H]1[C@@H](C)C2C(O)CCC(=O)N2[C@H]1CO.[V].

What is the InChIKey of 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium?

The InChIKey is FQZFZUNURSXFIS-XQLAEHHSSA-N. The full InChI is InChI=1S/C13H23N3O2.C11H19NO3.V/c1-5-8(2)9(3)10(4)13(15-16-14)11-6-7-12(17)18-11;1-6-7(2)11-9(14)3-4-10(15)12(11)8(6)5-13;/h8-11,13H,5-7H2,1-4H3;6-9,11,13-14H,3-5H2,1-2H3;/t8?,9-,10-,11?,13?;6-,7+,8-,9?,11?;/m10./s1.

What are the key properties of 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium?

5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium has a molecular weight of 517.57 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium is sourced from PubChem (CID 158115764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).