CID 11366205

C34H35BN4O13P — CID 11366205

About CID 11366205

CID 11366205 (PubChem CID 11366205) has the molecular formula C34H35BN4O13P and a molecular weight of 749.46 g/mol.

Molecular Properties

• Compound Name: CID 11366205
• PubChem CID: 11366205
• Molecular Formula: C34H35BN4O13P
• Molecular Weight: 749.46 g/mol
• Exact Mass: 749.20
• IUPAC Name: —
• SMILES: [B-][P+](O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC(=O)c1ccccc1)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccccc1
• InChI: InChI=1S/C34H34BN4O13P/c1-19-15-38(33(44)36-29(19)40)27-13-23(51-32(43)22-11-7-4-8-12-22)26(50-27)18-48-53(35,46)52-24-14-28(39-16-20(2)30(41)37-34(39)45)49-25(24)17-47-31(42)21-9-5-3-6-10-21/h3-12,15-16,23-28,46H,13-14,17-18H2,1-2H3,(H-,36,37,40,41,44,45)/q-1/p+1/t23-,24-,25+,26+,27+,28+,53?/m0/s1
• InChIKey: HPCAWGNNSUMOFM-ZZOJQVEUSA-O
• XLogP: 1.60
• TPSA: 219.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.46
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 11366205?

The IUPAC name of CID 11366205 (CID 11366205) is not available.

What is the SMILES notation for CID 11366205?

The canonical SMILES for CID 11366205 is [B-][P+](O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC(=O)c1ccccc1)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccccc1.

What is the InChIKey of CID 11366205?

The InChIKey is HPCAWGNNSUMOFM-ZZOJQVEUSA-O. The full InChI is InChI=1S/C34H34BN4O13P/c1-19-15-38(33(44)36-29(19)40)27-13-23(51-32(43)22-11-7-4-8-12-22)26(50-27)18-48-53(35,46)52-24-14-28(39-16-20(2)30(41)37-34(39)45)49-25(24)17-47-31(42)21-9-5-3-6-10-21/h3-12,15-16,23-28,46H,13-14,17-18H2,1-2H3,(H-,36,37,40,41,44,45)/q-1/p+1/t23-,24-,25+,26+,27+,28+,53?/m0/s1.

What are the key properties of CID 11366205?

CID 11366205 has a molecular weight of 749.46 g/mol, XLogP of 1.60, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for CID 11366205 is sourced from PubChem (CID 11366205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).