diethoxyphosphorylcarbonyl(trihydroxy)phosphanium

C5H13O7P2+ — CID 57080631

IUPACdiethoxyphosphorylcarbonyl(trihydroxy)phosphanium
SMILESCCOP(=O)(OCC)C(=O)[P+](O)(O)O
InChIInChI=1S/C5H13O7P2/c1-3-11-14(10,12-4-2)5(6)13(7,8)9/h7-9H,3-4H2,1-2H3/q+1
InChIKeyPDPUQAJLCUFODQ-UHFFFAOYSA-N
MW247.10 g/mol
LogP1.11
Rot. Bonds6

About diethoxyphosphorylcarbonyl(trihydroxy)phosphanium

diethoxyphosphorylcarbonyl(trihydroxy)phosphanium (PubChem CID 57080631) has the molecular formula C5H13O7P2+ and a molecular weight of 247.10 g/mol. Its IUPAC name is diethoxyphosphorylcarbonyl(trihydroxy)phosphanium.

Molecular Properties

Compound Namediethoxyphosphorylcarbonyl(trihydroxy)phosphanium
PubChem CID57080631
Molecular FormulaC5H13O7P2+
Molecular Weight247.10 g/mol
Exact Mass247.01
IUPAC Namediethoxyphosphorylcarbonyl(trihydroxy)phosphanium
SMILESCCOP(=O)(OCC)C(=O)[P+](O)(O)O
InChIInChI=1S/C5H13O7P2/c1-3-11-14(10,12-4-2)5(6)13(7,8)9/h7-9H,3-4H2,1-2H3/q+1
InChIKeyPDPUQAJLCUFODQ-UHFFFAOYSA-N
XLogP1.11
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
acetic acid;triethyl phosphate
CID 161446956
2-methylpropanamide;triethyl phosphate
CID 155316510
1-diethoxyphosphoryl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]formamide
CID 2368737
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
1-diethoxyphosphoryl-3-fluoropropan-1-one
CID 71349176
1-chloro-1-diethoxyphosphorylethene
CID 11481045
ethyl (E)-3-chloro-3-diethoxyphosphoryl-2-hydroxyprop-2-enoate
CID 13428132

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylcarbonyl(trihydroxy)phosphanium?
The IUPAC name of diethoxyphosphorylcarbonyl(trihydroxy)phosphanium (CID 57080631) is diethoxyphosphorylcarbonyl(trihydroxy)phosphanium.
What is the SMILES notation for diethoxyphosphorylcarbonyl(trihydroxy)phosphanium?
The canonical SMILES for diethoxyphosphorylcarbonyl(trihydroxy)phosphanium is CCOP(=O)(OCC)C(=O)[P+](O)(O)O.
What is the InChIKey of diethoxyphosphorylcarbonyl(trihydroxy)phosphanium?
The InChIKey is PDPUQAJLCUFODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O7P2/c1-3-11-14(10,12-4-2)5(6)13(7,8)9/h7-9H,3-4H2,1-2H3/q+1.
What are the key properties of diethoxyphosphorylcarbonyl(trihydroxy)phosphanium?
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium has a molecular weight of 247.10 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylcarbonyl(trihydroxy)phosphanium is sourced from PubChem (CID 57080631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).