CID 23390102

C8H16B2O6P — CID 23390102

IUPAC—
SMILES[B][B]C1CC(OP(=O)(O)O)C(COC(C)C)O1
InChIInChI=1S/C8H16B2O6P/c1-5(2)14-4-7-6(16-17(11,12)13)3-8(10-9)15-7/h5-8H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyUWVHMBHIOAYDRY-UHFFFAOYSA-N
MW260.81 g/mol
LogP-0.21
Rot. Bonds6

About CID 23390102

CID 23390102 (PubChem CID 23390102) has the molecular formula C8H16B2O6P and a molecular weight of 260.81 g/mol.

Molecular Properties

Compound NameCID 23390102
PubChem CID23390102
Molecular FormulaC8H16B2O6P
Molecular Weight260.81 g/mol
Exact Mass261.09
IUPAC Name—
SMILES[B][B]C1CC(OP(=O)(O)O)C(COC(C)C)O1
InChIInChI=1S/C8H16B2O6P/c1-5(2)14-4-7-6(16-17(11,12)13)3-8(10-9)15-7/h5-8H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyUWVHMBHIOAYDRY-UHFFFAOYSA-N
XLogP-0.21
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 23390102?
The IUPAC name of CID 23390102 (CID 23390102) is not available.
What is the SMILES notation for CID 23390102?
The canonical SMILES for CID 23390102 is [B][B]C1CC(OP(=O)(O)O)C(COC(C)C)O1.
What is the InChIKey of CID 23390102?
The InChIKey is UWVHMBHIOAYDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16B2O6P/c1-5(2)14-4-7-6(16-17(11,12)13)3-8(10-9)15-7/h5-8H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of CID 23390102?
CID 23390102 has a molecular weight of 260.81 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23390102 is sourced from PubChem (CID 23390102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).