CID 153295562

C8H16BO6P — CID 153295562

IUPAC—
SMILES[B]C1OC(CC)C(OP(=O)(O)OC)C1OC
InChIInChI=1S/C8H16BO6P/c1-4-5-6(15-16(10,11)13-3)7(12-2)8(9)14-5/h5-8H,4H2,1-3H3,(H,10,11)
InChIKeyCVBUNJXATAXQBY-UHFFFAOYSA-N
MW250.00 g/mol
LogP0.44
Rot. Bonds5

About CID 153295562

CID 153295562 (PubChem CID 153295562) has the molecular formula C8H16BO6P and a molecular weight of 250.00 g/mol.

Molecular Properties

Compound NameCID 153295562
PubChem CID153295562
Molecular FormulaC8H16BO6P
Molecular Weight250.00 g/mol
Exact Mass250.08
IUPAC Name—
SMILES[B]C1OC(CC)C(OP(=O)(O)OC)C1OC
InChIInChI=1S/C8H16BO6P/c1-4-5-6(15-16(10,11)13-3)7(12-2)8(9)14-5/h5-8H,4H2,1-3H3,(H,10,11)
InChIKeyCVBUNJXATAXQBY-UHFFFAOYSA-N
XLogP0.44
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 153295562?
The IUPAC name of CID 153295562 (CID 153295562) is not available.
What is the SMILES notation for CID 153295562?
The canonical SMILES for CID 153295562 is [B]C1OC(CC)C(OP(=O)(O)OC)C1OC.
What is the InChIKey of CID 153295562?
The InChIKey is CVBUNJXATAXQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BO6P/c1-4-5-6(15-16(10,11)13-3)7(12-2)8(9)14-5/h5-8H,4H2,1-3H3,(H,10,11).
What are the key properties of CID 153295562?
CID 153295562 has a molecular weight of 250.00 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153295562 is sourced from PubChem (CID 153295562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).