[ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium

C3H7O7P2+ — CID 56634520

IUPAC[ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium
SMILESC=COP(=O)(O)C(=O)[P+](O)(O)O
InChIInChI=1S/C3H6O7P2/c1-2-10-12(8,9)3(4)11(5,6)7/h2,5-7H,1H2/p+1
InChIKeyMPZZLAQAHWYHHZ-UHFFFAOYSA-O
MW217.03 g/mol
LogP0.19
Rot. Bonds4

About [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium

[ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium (PubChem CID 56634520) has the molecular formula C3H7O7P2+ and a molecular weight of 217.03 g/mol. Its IUPAC name is [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium.

Molecular Properties

Compound Name[ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium
PubChem CID56634520
Molecular FormulaC3H7O7P2+
Molecular Weight217.03 g/mol
Exact Mass216.97
IUPAC Name[ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium
SMILESC=COP(=O)(O)C(=O)[P+](O)(O)O
InChIInChI=1S/C3H6O7P2/c1-2-10-12(8,9)3(4)11(5,6)7/h2,5-7H,1H2/p+1
InChIKeyMPZZLAQAHWYHHZ-UHFFFAOYSA-O
XLogP0.19
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

trihydroxy-[hydroxy(methoxy)phosphoryl]carbonylphosphanium
CID 56626308
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
[ethenoxy(hydroxy)phosphoryl] carbamate
CID 163620088
[3-[ethenoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 89188019
ethenesulfonic acid;ethenyl dihydrogen phosphate
CID 158247102
ethenoxy(pentyl)phosphinic acid
CID 87577957
1-bis(ethenyl)phosphoryloxyethene
CID 87155072
phosphono dihydrogen phosphate;prop-2-enamide
CID 174924052
ethenyl 2-(2-hydroxypropoxy)propyl hydrogen phosphate
CID 88836579
ethenyl bis(trifluoromethyl) phosphate
CID 172804710
benzyl ethenyl phosphono phosphate
CID 138678243
ethenyl 2,2-dihydroxyacetate
CID 172859398

Frequently Asked Questions

What is the IUPAC name of [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium?
The IUPAC name of [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium (CID 56634520) is [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium.
What is the SMILES notation for [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium?
The canonical SMILES for [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium is C=COP(=O)(O)C(=O)[P+](O)(O)O.
What is the InChIKey of [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium?
The InChIKey is MPZZLAQAHWYHHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6O7P2/c1-2-10-12(8,9)3(4)11(5,6)7/h2,5-7H,1H2/p+1.
What are the key properties of [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium?
[ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium has a molecular weight of 217.03 g/mol, XLogP of 0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium is sourced from PubChem (CID 56634520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).