CID 169286240

C5H13BO8P2Y — CID 169286240

IUPAC—
SMILESO=[PH](O)O.[B][C@H]1C[C@@H](O)[C@@H](CO[PH](=O)O)O1.[Y]
InChIInChI=1S/C5H10BO5P.H3O3P.Y/c6-5-1-3(7)4(11-5)2-10-12(8)9;1-4(2)3;/h3-5,7,12H,1-2H2,(H,8,9);4H,(H2,1,2,3);/t3-,4-,5-;;/m1../s1
InChIKeyVOCBLLHBSFZYPK-PWWGHLKFSA-N
MW362.82 g/mol
LogP-1.61
Rot. Bonds3

About CID 169286240

CID 169286240 (PubChem CID 169286240) has the molecular formula C5H13BO8P2Y and a molecular weight of 362.82 g/mol.

Molecular Properties

Compound NameCID 169286240
PubChem CID169286240
Molecular FormulaC5H13BO8P2Y
Molecular Weight362.82 g/mol
Exact Mass362.92
IUPAC Name—
SMILESO=[PH](O)O.[B][C@H]1C[C@@H](O)[C@@H](CO[PH](=O)O)O1.[Y]
InChIInChI=1S/C5H10BO5P.H3O3P.Y/c6-5-1-3(7)4(11-5)2-10-12(8)9;1-4(2)3;/h3-5,7,12H,1-2H2,(H,8,9);4H,(H2,1,2,3);/t3-,4-,5-;;/m1../s1
InChIKeyVOCBLLHBSFZYPK-PWWGHLKFSA-N
XLogP-1.61
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
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 169286240?
The IUPAC name of CID 169286240 (CID 169286240) is not available.
What is the SMILES notation for CID 169286240?
The canonical SMILES for CID 169286240 is O=[PH](O)O.[B][C@H]1C[C@@H](O)[C@@H](CO[PH](=O)O)O1.[Y].
What is the InChIKey of CID 169286240?
The InChIKey is VOCBLLHBSFZYPK-PWWGHLKFSA-N. The full InChI is InChI=1S/C5H10BO5P.H3O3P.Y/c6-5-1-3(7)4(11-5)2-10-12(8)9;1-4(2)3;/h3-5,7,12H,1-2H2,(H,8,9);4H,(H2,1,2,3);/t3-,4-,5-;;/m1../s1.
What are the key properties of CID 169286240?
CID 169286240 has a molecular weight of 362.82 g/mol, XLogP of -1.61, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169286240 is sourced from PubChem (CID 169286240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).