CID 54193468

CH6BO6P2 — CID 54193468

IUPAC—
SMILESCOP(=O)(O)[B]P(=O)(O)O
InChIInChI=1S/CH6BO6P2/c1-8-10(6,7)2-9(3,4)5/h1H3,(H,6,7)(H2,3,4,5)
InChIKeyYGVFKSYWWUBITQ-UHFFFAOYSA-N
MW186.81 g/mol
LogP-0.47
Rot. Bonds3

About CID 54193468

CID 54193468 (PubChem CID 54193468) has the molecular formula CH6BO6P2 and a molecular weight of 186.81 g/mol.

Molecular Properties

Compound NameCID 54193468
PubChem CID54193468
Molecular FormulaCH6BO6P2
Molecular Weight186.81 g/mol
Exact Mass186.97
IUPAC Name—
SMILESCOP(=O)(O)[B]P(=O)(O)O
InChIInChI=1S/CH6BO6P2/c1-8-10(6,7)2-9(3,4)5/h1H3,(H,6,7)(H2,3,4,5)
InChIKeyYGVFKSYWWUBITQ-UHFFFAOYSA-N
XLogP-0.47
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.81
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 54193468?
The IUPAC name of CID 54193468 (CID 54193468) is not available.
What is the SMILES notation for CID 54193468?
The canonical SMILES for CID 54193468 is COP(=O)(O)[B]P(=O)(O)O.
What is the InChIKey of CID 54193468?
The InChIKey is YGVFKSYWWUBITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6BO6P2/c1-8-10(6,7)2-9(3,4)5/h1H3,(H,6,7)(H2,3,4,5).
What are the key properties of CID 54193468?
CID 54193468 has a molecular weight of 186.81 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54193468 is sourced from PubChem (CID 54193468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).