(1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid

C4H13NO6P2 — CID 155056591

IUPAC(1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid
SMILES[H]N=P(O)(O)C(CC)(OC)P(=O)(O)O
InChIInChI=1S/C4H13NO6P2/c1-3-4(11-2,12(5,6)7)13(8,9)10/h3H2,1-2H3,(H3,5,6,7)(H2,8,9,10)
InChIKeyTUHSCQLCVAICQW-UHFFFAOYSA-N
MW233.10 g/mol
LogP0.47
Rot. Bonds4

About (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid

(1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid (PubChem CID 155056591) has the molecular formula C4H13NO6P2 and a molecular weight of 233.10 g/mol. Its IUPAC name is (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid.

Molecular Properties

Compound Name(1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid
PubChem CID155056591
Molecular FormulaC4H13NO6P2
Molecular Weight233.10 g/mol
Exact Mass233.02
IUPAC Name(1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid
SMILES[H]N=P(O)(O)C(CC)(OC)P(=O)(O)O
InChIInChI=1S/C4H13NO6P2/c1-3-4(11-2,12(5,6)7)13(8,9)10/h3H2,1-2H3,(H3,5,6,7)(H2,8,9,10)
InChIKeyTUHSCQLCVAICQW-UHFFFAOYSA-N
XLogP0.47
TPSA131.07 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 50.47
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

2,2,2-trimethoxyethyl dihydrogen phosphate
CID 54493735
4-phosphonoheptan-4-ylphosphonic acid
CID 87800528
(2-ethoxy-1,1-dimethoxy-2-oxoethyl)phosphonic acid
CID 87331725
3-dimethylphosphorylpentan-3-ylphosphonic acid
CID 151570472
3,4-bis(methoxycarbonyl)hexan-3-ylphosphonic acid
CID 54412153
methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid
CID 158654735
3-[methoxy(methyl)carbamoyl]pentan-3-ylphosphonic acid
CID 19422247
(3-ethyl-2-methylpentan-3-yl)phosphonic acid
CID 71437145
ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
CID 162206462
[1-[aminooxy(hydroxy)phosphoryl]-1-hydroxypropyl]phosphonic acid
CID 88638085
3-ethyldecan-3-ylphosphonic acid
CID 20522343
3-ethylicosan-3-ylphosphonic acid
CID 146503819

Frequently Asked Questions

What is the IUPAC name of (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid?
The IUPAC name of (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid (CID 155056591) is (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid.
What is the SMILES notation for (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid?
The canonical SMILES for (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid is [H]N=P(O)(O)C(CC)(OC)P(=O)(O)O.
What is the InChIKey of (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid?
The InChIKey is TUHSCQLCVAICQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO6P2/c1-3-4(11-2,12(5,6)7)13(8,9)10/h3H2,1-2H3,(H3,5,6,7)(H2,8,9,10).
What are the key properties of (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid?
(1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid has a molecular weight of 233.10 g/mol, XLogP of 0.47, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dihydroxyphosphinimyl-1-methoxypropyl)phosphonic acid is sourced from PubChem (CID 155056591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).