(decoxyamino)phosphonic acid

C10H24NO4P — CID 130423568

IUPAC(decoxyamino)phosphonic acid
SMILESCCCCCCCCCCONP(=O)(O)O
InChIInChI=1S/C10H24NO4P/c1-2-3-4-5-6-7-8-9-10-15-11-16(12,13)14/h2-10H2,1H3,(H3,11,12,13,14)
InChIKeyDIXZZIGXQWPCPE-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.74
Rot. Bonds11

About (decoxyamino)phosphonic acid

(decoxyamino)phosphonic acid (PubChem CID 130423568) has the molecular formula C10H24NO4P and a molecular weight of 253.28 g/mol. Its IUPAC name is (decoxyamino)phosphonic acid.

Molecular Properties

Compound Name(decoxyamino)phosphonic acid
PubChem CID130423568
Molecular FormulaC10H24NO4P
Molecular Weight253.28 g/mol
Exact Mass253.14
IUPAC Name(decoxyamino)phosphonic acid
SMILESCCCCCCCCCCONP(=O)(O)O
InChIInChI=1S/C10H24NO4P/c1-2-3-4-5-6-7-8-9-10-15-11-16(12,13)14/h2-10H2,1H3,(H3,11,12,13,14)
InChIKeyDIXZZIGXQWPCPE-UHFFFAOYSA-N
XLogP2.74
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
octacosyl hydrogen phosphate
CID 20569356
octatriacontyl dihydrogen phosphate
CID 140979287
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
hexadecyl hexyl hydrogen phosphate
CID 15132676
dodecane;phosphoric acid
CID 88801558
dioctyl hydrogen phosphate;zinc
CID 20743274

Frequently Asked Questions

What is the IUPAC name of (decoxyamino)phosphonic acid?
The IUPAC name of (decoxyamino)phosphonic acid (CID 130423568) is (decoxyamino)phosphonic acid.
What is the SMILES notation for (decoxyamino)phosphonic acid?
The canonical SMILES for (decoxyamino)phosphonic acid is CCCCCCCCCCONP(=O)(O)O.
What is the InChIKey of (decoxyamino)phosphonic acid?
The InChIKey is DIXZZIGXQWPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO4P/c1-2-3-4-5-6-7-8-9-10-15-11-16(12,13)14/h2-10H2,1H3,(H3,11,12,13,14).
What are the key properties of (decoxyamino)phosphonic acid?
(decoxyamino)phosphonic acid has a molecular weight of 253.28 g/mol, XLogP of 2.74, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (decoxyamino)phosphonic acid is sourced from PubChem (CID 130423568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).