CID 20609290

C13H23B2O8P — CID 20609290

IUPAC—
SMILES[B]C1CC(O)C(COP(=O)(O)OC2CC([B])OC2COC(C)C)O1
InChIInChI=1S/C13H23B2O8P/c1-7(2)19-5-11-9(4-13(15)22-11)23-24(17,18)20-6-10-8(16)3-12(14)21-10/h7-13,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyYWUVMZSONFCXSZ-UHFFFAOYSA-N
MW359.92 g/mol
LogP-0.16
Rot. Bonds8

About CID 20609290

CID 20609290 (PubChem CID 20609290) has the molecular formula C13H23B2O8P and a molecular weight of 359.92 g/mol.

Molecular Properties

Compound NameCID 20609290
PubChem CID20609290
Molecular FormulaC13H23B2O8P
Molecular Weight359.92 g/mol
Exact Mass360.13
IUPAC Name—
SMILES[B]C1CC(O)C(COP(=O)(O)OC2CC([B])OC2COC(C)C)O1
InChIInChI=1S/C13H23B2O8P/c1-7(2)19-5-11-9(4-13(15)22-11)23-24(17,18)20-6-10-8(16)3-12(14)21-10/h7-13,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyYWUVMZSONFCXSZ-UHFFFAOYSA-N
XLogP-0.16
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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 20609290?
The IUPAC name of CID 20609290 (CID 20609290) is not available.
What is the SMILES notation for CID 20609290?
The canonical SMILES for CID 20609290 is [B]C1CC(O)C(COP(=O)(O)OC2CC([B])OC2COC(C)C)O1.
What is the InChIKey of CID 20609290?
The InChIKey is YWUVMZSONFCXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23B2O8P/c1-7(2)19-5-11-9(4-13(15)22-11)23-24(17,18)20-6-10-8(16)3-12(14)21-10/h7-13,16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of CID 20609290?
CID 20609290 has a molecular weight of 359.92 g/mol, XLogP of -0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20609290 is sourced from PubChem (CID 20609290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).