CID 22088440

C14H28B2N2O7P2 — CID 22088440

IUPAC—
SMILES[B]C1CN(P(C)(=O)OC)CC(COP(C)(=O)N2CC([B])OC(COC)C2)O1
InChIInChI=1S/C14H28B2N2O7P2/c1-21-9-11-5-18(8-14(16)24-11)27(4,20)23-10-12-6-17(7-13(15)25-12)26(3,19)22-2/h11-14H,5-10H2,1-4H3
InChIKeyWDPPFOGPDHGETH-UHFFFAOYSA-N
MW419.96 g/mol
LogP0.33
Rot. Bonds8

About CID 22088440

CID 22088440 (PubChem CID 22088440) has the molecular formula C14H28B2N2O7P2 and a molecular weight of 419.96 g/mol.

Molecular Properties

Compound NameCID 22088440
PubChem CID22088440
Molecular FormulaC14H28B2N2O7P2
Molecular Weight419.96 g/mol
Exact Mass420.16
IUPAC Name—
SMILES[B]C1CN(P(C)(=O)OC)CC(COP(C)(=O)N2CC([B])OC(COC)C2)O1
InChIInChI=1S/C14H28B2N2O7P2/c1-21-9-11-5-18(8-14(16)24-11)27(4,20)23-10-12-6-17(7-13(15)25-12)26(3,19)22-2/h11-14H,5-10H2,1-4H3
InChIKeyWDPPFOGPDHGETH-UHFFFAOYSA-N
XLogP0.33
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 22088440?
The IUPAC name of CID 22088440 (CID 22088440) is not available.
What is the SMILES notation for CID 22088440?
The canonical SMILES for CID 22088440 is [B]C1CN(P(C)(=O)OC)CC(COP(C)(=O)N2CC([B])OC(COC)C2)O1.
What is the InChIKey of CID 22088440?
The InChIKey is WDPPFOGPDHGETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28B2N2O7P2/c1-21-9-11-5-18(8-14(16)24-11)27(4,20)23-10-12-6-17(7-13(15)25-12)26(3,19)22-2/h11-14H,5-10H2,1-4H3.
What are the key properties of CID 22088440?
CID 22088440 has a molecular weight of 419.96 g/mol, XLogP of 0.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22088440 is sourced from PubChem (CID 22088440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).