CID 89410935

C15H23B2N3O5 — CID 89410935

IUPAC—
SMILES[B][C@H]1CC(OC)[C@@H](Cc2cn(COC3C[C@H]([B])O[C@@H]3COC)nn2)O1
InChIInChI=1S/C15H23B2N3O5/c1-21-7-13-11(5-15(17)25-13)23-8-20-6-9(18-19-20)3-12-10(22-2)4-14(16)24-12/h6,10-15H,3-5,7-8H2,1-2H3/t10?,11?,12-,13-,14-,15-/m1/s1
InChIKeyOLXZSGVPUGEPSD-VQWKSAMMSA-N
MW346.99 g/mol
LogP-0.61
Rot. Bonds8

About CID 89410935

CID 89410935 (PubChem CID 89410935) has the molecular formula C15H23B2N3O5 and a molecular weight of 346.99 g/mol.

Molecular Properties

Compound NameCID 89410935
PubChem CID89410935
Molecular FormulaC15H23B2N3O5
Molecular Weight346.99 g/mol
Exact Mass347.18
IUPAC Name—
SMILES[B][C@H]1CC(OC)[C@@H](Cc2cn(COC3C[C@H]([B])O[C@@H]3COC)nn2)O1
InChIInChI=1S/C15H23B2N3O5/c1-21-7-13-11(5-15(17)25-13)23-8-20-6-9(18-19-20)3-12-10(22-2)4-14(16)24-12/h6,10-15H,3-5,7-8H2,1-2H3/t10?,11?,12-,13-,14-,15-/m1/s1
InChIKeyOLXZSGVPUGEPSD-VQWKSAMMSA-N
XLogP-0.61
TPSA76.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.99
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89410935?
The IUPAC name of CID 89410935 (CID 89410935) is not available.
What is the SMILES notation for CID 89410935?
The canonical SMILES for CID 89410935 is [B][C@H]1CC(OC)[C@@H](Cc2cn(COC3C[C@H]([B])O[C@@H]3COC)nn2)O1.
What is the InChIKey of CID 89410935?
The InChIKey is OLXZSGVPUGEPSD-VQWKSAMMSA-N. The full InChI is InChI=1S/C15H23B2N3O5/c1-21-7-13-11(5-15(17)25-13)23-8-20-6-9(18-19-20)3-12-10(22-2)4-14(16)24-12/h6,10-15H,3-5,7-8H2,1-2H3/t10?,11?,12-,13-,14-,15-/m1/s1.
What are the key properties of CID 89410935?
CID 89410935 has a molecular weight of 346.99 g/mol, XLogP of -0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89410935 is sourced from PubChem (CID 89410935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).