CID 140794739

C14H28B2N3O5P — CID 140794739

IUPAC—
SMILES[B][C@H]1CN(C)C[C@@H](COP(=O)(N(C)C)N2C[C@@H](COC)O[C@@H]([B])C2)O1
InChIInChI=1S/C14H28B2N3O5P/c1-17(2)25(20,19-6-12(9-21-4)24-14(16)8-19)22-10-11-5-18(3)7-13(15)23-11/h11-14H,5-10H2,1-4H3/t11-,12-,13+,14+,25?/m0/s1
InChIKeyWMEJGOWJPPLQBJ-WOLZJSMASA-N
MW370.99 g/mol
LogP-0.66
Rot. Bonds7

About CID 140794739

CID 140794739 (PubChem CID 140794739) has the molecular formula C14H28B2N3O5P and a molecular weight of 370.99 g/mol.

Molecular Properties

Compound NameCID 140794739
PubChem CID140794739
Molecular FormulaC14H28B2N3O5P
Molecular Weight370.99 g/mol
Exact Mass371.20
IUPAC Name—
SMILES[B][C@H]1CN(C)C[C@@H](COP(=O)(N(C)C)N2C[C@@H](COC)O[C@@H]([B])C2)O1
InChIInChI=1S/C14H28B2N3O5P/c1-17(2)25(20,19-6-12(9-21-4)24-14(16)8-19)22-10-11-5-18(3)7-13(15)23-11/h11-14H,5-10H2,1-4H3/t11-,12-,13+,14+,25?/m0/s1
InChIKeyWMEJGOWJPPLQBJ-WOLZJSMASA-N
XLogP-0.66
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.99
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140794739?
The IUPAC name of CID 140794739 (CID 140794739) is not available.
What is the SMILES notation for CID 140794739?
The canonical SMILES for CID 140794739 is [B][C@H]1CN(C)C[C@@H](COP(=O)(N(C)C)N2C[C@@H](COC)O[C@@H]([B])C2)O1.
What is the InChIKey of CID 140794739?
The InChIKey is WMEJGOWJPPLQBJ-WOLZJSMASA-N. The full InChI is InChI=1S/C14H28B2N3O5P/c1-17(2)25(20,19-6-12(9-21-4)24-14(16)8-19)22-10-11-5-18(3)7-13(15)23-11/h11-14H,5-10H2,1-4H3/t11-,12-,13+,14+,25?/m0/s1.
What are the key properties of CID 140794739?
CID 140794739 has a molecular weight of 370.99 g/mol, XLogP of -0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140794739 is sourced from PubChem (CID 140794739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).