3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium

C3H12NO6P2+ — CID 88769819

IUPAC3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
SMILESNCCCP(=O)(O)O.O=[P+](O)O
InChIInChI=1S/C3H10NO3P.HO3P/c4-2-1-3-8(5,6)7;1-4(2)3/h1-4H2,(H2,5,6,7);(H-,1,2,3)/p+1
InChIKeyQHHFTIXEJUSLBF-UHFFFAOYSA-O
MW220.08 g/mol
LogP-0.86
Rot. Bonds3

About 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium

3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium (PubChem CID 88769819) has the molecular formula C3H12NO6P2+ and a molecular weight of 220.08 g/mol. Its IUPAC name is 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
PubChem CID88769819
Molecular FormulaC3H12NO6P2+
Molecular Weight220.08 g/mol
Exact Mass220.01
IUPAC Name3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
SMILESNCCCP(=O)(O)O.O=[P+](O)O
InChIInChI=1S/C3H10NO3P.HO3P/c4-2-1-3-8(5,6)7;1-4(2)3/h1-4H2,(H2,5,6,7);(H-,1,2,3)/p+1
InChIKeyQHHFTIXEJUSLBF-UHFFFAOYSA-O
XLogP-0.86
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phosphonobutylphosphonic acid;propane-1,3-diamine
CID 18949670
ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
5-phosphonopentylphosphonic acid
CID 2773804
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
2-aminoethylphosphonic acid;oxalic acid
CID 87621016
dihydroxy(oxo)phosphanium;3-methylbutan-1-amine
CID 22056543
2-aminoethanol;bis(dihydroxy(oxo)phosphanium)
CID 87134707
dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane
CID 174724502
3-[bis(3-aminopropyl)phosphoryl]propan-1-ol
CID 139787157
hydroxy-oxo-(phosphonomethyl)phosphanium;methane
CID 88633037

Frequently Asked Questions

What is the IUPAC name of 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium?
The IUPAC name of 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium (CID 88769819) is 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium?
The canonical SMILES for 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium is NCCCP(=O)(O)O.O=[P+](O)O.
What is the InChIKey of 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium?
The InChIKey is QHHFTIXEJUSLBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H10NO3P.HO3P/c4-2-1-3-8(5,6)7;1-4(2)3/h1-4H2,(H2,5,6,7);(H-,1,2,3)/p+1.
What are the key properties of 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium?
3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium has a molecular weight of 220.08 g/mol, XLogP of -0.86, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 88769819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).