[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium

C6H17NO4P+ — CID 154512469

IUPAC[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium
SMILESCCCOP(=O)(O)O[N+](C)(C)C
InChIInChI=1S/C6H16NO4P/c1-5-6-10-12(8,9)11-7(2,3)4/h5-6H2,1-4H3/p+1
InChIKeyIJVSDBOQFITTEQ-UHFFFAOYSA-O
MW198.18 g/mol
LogP1.15
Rot. Bonds5

About [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium

[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium (PubChem CID 154512469) has the molecular formula C6H17NO4P+ and a molecular weight of 198.18 g/mol. Its IUPAC name is [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium.

Molecular Properties

Compound Name[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium
PubChem CID154512469
Molecular FormulaC6H17NO4P+
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium
SMILESCCCOP(=O)(O)O[N+](C)(C)C
InChIInChI=1S/C6H16NO4P/c1-5-6-10-12(8,9)11-7(2,3)4/h5-6H2,1-4H3/p+1
InChIKeyIJVSDBOQFITTEQ-UHFFFAOYSA-O
XLogP1.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dibutyl hydrogen phosphate
CID 158586372
decyl propyl hydrogen phosphate
CID 87587050
pentan-3-yl propyl hydrogen phosphate
CID 151314588
3-[hydroxy(propoxy)phosphoryl]oxypropylphosphonic acid
CID 126688943
methyl 2-propoxyethyl hydrogen phosphate
CID 87066021
prop-1-enyl propyl hydrogen phosphate
CID 87732909
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
hexadecyl hexyl hydrogen phosphate
CID 15132676
[hydroxy-[5-(2-methylprop-2-enoylamino)pentoxy]phosphoryl]oxy-trimethylazanium
CID 137354355
3-[hydroxy(octadecoxy)phosphoryl]oxypropyl-trimethylazanium
CID 58922759

Frequently Asked Questions

What is the IUPAC name of [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium?
The IUPAC name of [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium (CID 154512469) is [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium.
What is the SMILES notation for [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium?
The canonical SMILES for [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium is CCCOP(=O)(O)O[N+](C)(C)C.
What is the InChIKey of [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium?
The InChIKey is IJVSDBOQFITTEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16NO4P/c1-5-6-10-12(8,9)11-7(2,3)4/h5-6H2,1-4H3/p+1.
What are the key properties of [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium?
[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium has a molecular weight of 198.18 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(propoxy)phosphoryl]oxy-trimethylazanium is sourced from PubChem (CID 154512469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).