CID 90304851

C7H14BO6P — CID 90304851

IUPAC—
SMILES[B][C@H]1CC(OP(=O)(O)OC)[C@@H](COC)O1
InChIInChI=1S/C7H14BO6P/c1-11-4-6-5(3-7(8)13-6)14-15(9,10)12-2/h5-7H,3-4H2,1-2H3,(H,9,10)/t5?,6-,7-/m1/s1
InChIKeyIJXAYNCNLWWURP-JXBXZBNISA-N
MW235.97 g/mol
LogP0.05
Rot. Bonds5

About CID 90304851

CID 90304851 (PubChem CID 90304851) has the molecular formula C7H14BO6P and a molecular weight of 235.97 g/mol.

Molecular Properties

Compound NameCID 90304851
PubChem CID90304851
Molecular FormulaC7H14BO6P
Molecular Weight235.97 g/mol
Exact Mass236.06
IUPAC Name—
SMILES[B][C@H]1CC(OP(=O)(O)OC)[C@@H](COC)O1
InChIInChI=1S/C7H14BO6P/c1-11-4-6-5(3-7(8)13-6)14-15(9,10)12-2/h5-7H,3-4H2,1-2H3,(H,9,10)/t5?,6-,7-/m1/s1
InChIKeyIJXAYNCNLWWURP-JXBXZBNISA-N
XLogP0.05
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.97
LogP ≤ 50.05
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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[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
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Frequently Asked Questions

What is the IUPAC name of CID 90304851?
The IUPAC name of CID 90304851 (CID 90304851) is not available.
What is the SMILES notation for CID 90304851?
The canonical SMILES for CID 90304851 is [B][C@H]1CC(OP(=O)(O)OC)[C@@H](COC)O1.
What is the InChIKey of CID 90304851?
The InChIKey is IJXAYNCNLWWURP-JXBXZBNISA-N. The full InChI is InChI=1S/C7H14BO6P/c1-11-4-6-5(3-7(8)13-6)14-15(9,10)12-2/h5-7H,3-4H2,1-2H3,(H,9,10)/t5?,6-,7-/m1/s1.
What are the key properties of CID 90304851?
CID 90304851 has a molecular weight of 235.97 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90304851 is sourced from PubChem (CID 90304851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).