[(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate

C29H33GeN5O5 — CID 25262963

About [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate

[(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate (PubChem CID 25262963) has the molecular formula C29H33GeN5O5 and a molecular weight of 604.22 g/mol. Its IUPAC name is [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate.

Molecular Properties

• Compound Name: [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate
• PubChem CID: 25262963
• Molecular Formula: C29H33GeN5O5
• Molecular Weight: 604.22 g/mol
• Exact Mass: 605.17
• IUPAC Name: [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate
• SMILES: CC[C@@]1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Ge](C)(C)CCCN=[N+]=[N-]
• InChI: InChI=1S/C29H33GeN5O5/c1-5-29(40-18(2)36)23-15-25-26-21(16-35(25)27(37)22(23)17-39-28(29)38)19(20-9-6-7-10-24(20)33-26)11-13-30(3,4)12-8-14-32-34-31/h6-7,9-10,15H,5,8,11-14,16-17H2,1-4H3/t29-/m0/s1
• InChIKey: YQRUAIUZGUYNAQ-LJAQVGFWSA-N
• XLogP: 5.60
• TPSA: 136.25 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.22
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate?

The IUPAC name of [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate (CID 25262963) is [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate.

What is the SMILES notation for [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate?

The canonical SMILES for [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate is CC[C@@]1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Ge](C)(C)CCCN=[N+]=[N-].

What is the InChIKey of [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate?

The InChIKey is YQRUAIUZGUYNAQ-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H33GeN5O5/c1-5-29(40-18(2)36)23-15-25-26-21(16-35(25)27(37)22(23)17-39-28(29)38)19(20-9-6-7-10-24(20)33-26)11-13-30(3,4)12-8-14-32-34-31/h6-7,9-10,15H,5,8,11-14,16-17H2,1-4H3/t29-/m0/s1.

What are the key properties of [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate?

[(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate has a molecular weight of 604.22 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(19S)-10-[2-[3-azidopropyl(dimethyl)germyl]ethyl]-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate is sourced from PubChem (CID 25262963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).