CID 157010254

C4H10NO4P- — CID 157010254

IUPAC—
SMILESC[N+](C)CCOP(=O)([O-])[O-]
InChIInChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)/q+1/p-2
InChIKeyXNORYOIOVQAIQB-UHFFFAOYSA-L
MW167.10 g/mol
LogP-1.77
Rot. Bonds4

About CID 157010254

CID 157010254 (PubChem CID 157010254) has the molecular formula C4H10NO4P- and a molecular weight of 167.10 g/mol.

Molecular Properties

Compound NameCID 157010254
PubChem CID157010254
Molecular FormulaC4H10NO4P-
Molecular Weight167.10 g/mol
Exact Mass167.04
IUPAC Name—
SMILESC[N+](C)CCOP(=O)([O-])[O-]
InChIInChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)/q+1/p-2
InChIKeyXNORYOIOVQAIQB-UHFFFAOYSA-L
XLogP-1.77
TPSA78.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 5-1.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 157010255
CID 157010255
2-phosphonatooxyethyl phosphate
CID 22721325
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
sodium 2-ethoxyethyl phosphate
CID 139597529
butyl phosphate;titanium(2+)
CID 141032733
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
calcium;sodium;pentadecyl phosphate
CID 172731404
dipotassium;octyl phosphate
CID 29394
dipotassium;octadecyl phosphate
CID 20511704
calcium dotriacontyl phosphate
CID 164901019

Frequently Asked Questions

What is the IUPAC name of CID 157010254?
The IUPAC name of CID 157010254 (CID 157010254) is not available.
What is the SMILES notation for CID 157010254?
The canonical SMILES for CID 157010254 is C[N+](C)CCOP(=O)([O-])[O-].
What is the InChIKey of CID 157010254?
The InChIKey is XNORYOIOVQAIQB-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)/q+1/p-2.
What are the key properties of CID 157010254?
CID 157010254 has a molecular weight of 167.10 g/mol, XLogP of -1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157010254 is sourced from PubChem (CID 157010254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).