CID 59319489

C2H7BO4P — CID 59319489

IUPAC—
SMILESC[B]OP(=O)(O)OC
InChIInChI=1S/C2H7BO4P/c1-3-7-8(4,5)6-2/h1-2H3,(H,4,5)
InChIKeyMCHMZNRMQOCDCX-UHFFFAOYSA-N
MW136.86 g/mol
LogP0.42
Rot. Bonds3

About CID 59319489

CID 59319489 (PubChem CID 59319489) has the molecular formula C2H7BO4P and a molecular weight of 136.86 g/mol.

Molecular Properties

Compound NameCID 59319489
PubChem CID59319489
Molecular FormulaC2H7BO4P
Molecular Weight136.86 g/mol
Exact Mass137.02
IUPAC Name—
SMILESC[B]OP(=O)(O)OC
InChIInChI=1S/C2H7BO4P/c1-3-7-8(4,5)6-2/h1-2H3,(H,4,5)
InChIKeyMCHMZNRMQOCDCX-UHFFFAOYSA-N
XLogP0.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.86
LogP ≤ 50.42
H-Bond Donors ≤ 51
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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Related Compounds

tris(dimethyl hydrogen phosphate);titanium
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dimethyl hydrogen phosphate;heptahydrate
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dimethyl hydrogen phosphate;methane
CID 88807117
fluoro methyl hydrogen phosphate
CID 87128109
carbanylium;methyl dihydrogen phosphate
CID 165007935
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
azane;methyl phosphono hydrogen phosphate
CID 175124465
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate
CID 175130665
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
CID 155442140
tripotassium;amino methyl hydrogen phosphate;azane;hydride
CID 174615874

Frequently Asked Questions

What is the IUPAC name of CID 59319489?
The IUPAC name of CID 59319489 (CID 59319489) is not available.
What is the SMILES notation for CID 59319489?
The canonical SMILES for CID 59319489 is C[B]OP(=O)(O)OC.
What is the InChIKey of CID 59319489?
The InChIKey is MCHMZNRMQOCDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7BO4P/c1-3-7-8(4,5)6-2/h1-2H3,(H,4,5).
What are the key properties of CID 59319489?
CID 59319489 has a molecular weight of 136.86 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59319489 is sourced from PubChem (CID 59319489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).