CID 50925410

C43H65N11O13Te2 — CID 50925410

About CID 50925410

CID 50925410 (PubChem CID 50925410) has the molecular formula C43H65N11O13Te2 and a molecular weight of 1199.26 g/mol.

Molecular Properties

• Compound Name: CID 50925410
• PubChem CID: 50925410
• Molecular Formula: C43H65N11O13Te2
• Molecular Weight: 1199.26 g/mol
• Exact Mass: 1203.29
• IUPAC Name: —
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C[Te])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C[Te])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
• InChI: InChI=1S/C43H65N11O13Te2/c1-5-22(4)35(53-40(64)28(49-36(60)25(44)19-68)16-23-8-10-24(55)11-9-23)42(66)48-26(12-13-32(45)56)38(62)50-29(17-33(46)57)39(63)52-30(20-69)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-34(58)59/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
• InChIKey: KUTOUFIJKJWBSF-DSZYJQQASA-N
• XLogP: -4.23
• TPSA: 393.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 13
• Rotatable Bonds: 29
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.26
LogP ≤ 5	-4.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 50925410?

The IUPAC name of CID 50925410 (CID 50925410) is not available.

What is the SMILES notation for CID 50925410?

The canonical SMILES for CID 50925410 is CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C[Te])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C[Te])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O.

What is the InChIKey of CID 50925410?

The InChIKey is KUTOUFIJKJWBSF-DSZYJQQASA-N. The full InChI is InChI=1S/C43H65N11O13Te2/c1-5-22(4)35(53-40(64)28(49-36(60)25(44)19-68)16-23-8-10-24(55)11-9-23)42(66)48-26(12-13-32(45)56)38(62)50-29(17-33(46)57)39(63)52-30(20-69)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-34(58)59/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1.

What are the key properties of CID 50925410?

CID 50925410 has a molecular weight of 1199.26 g/mol, XLogP of -4.23, 29 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for CID 50925410 is sourced from PubChem (CID 50925410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).