[hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate

C3H12O8P2Pr — CID 20588957

IUPAC[hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate
SMILESCOP(=O)(O)OP(=O)(OC)OC.O.[Pr]
InChIInChI=1S/C3H10O7P2.H2O.Pr/c1-7-11(4,5)10-12(6,8-2)9-3;;/h1-3H3,(H,4,5);1H2;
InChIKeyIYHHQBGSGSWUKR-UHFFFAOYSA-N
MW378.98 g/mol
LogP0.33
Rot. Bonds5

About [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate

[hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate (PubChem CID 20588957) has the molecular formula C3H12O8P2Pr and a molecular weight of 378.98 g/mol. Its IUPAC name is [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate.

Molecular Properties

Compound Name[hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate
PubChem CID20588957
Molecular FormulaC3H12O8P2Pr
Molecular Weight378.98 g/mol
Exact Mass378.91
IUPAC Name[hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate
SMILESCOP(=O)(O)OP(=O)(OC)OC.O.[Pr]
InChIInChI=1S/C3H10O7P2.H2O.Pr/c1-7-11(4,5)10-12(6,8-2)9-3;;/h1-3H3,(H,4,5);1H2;
InChIKeyIYHHQBGSGSWUKR-UHFFFAOYSA-N
XLogP0.33
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.98
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl acid pyrophosphate
CID 97004
Triphosphoric acid methylester
CID 449617
[Hydroxy(methoxy)phosphoryl]methyl-methoxyphosphinic acid
CID 20756088
[Hydroxy(methoxy)phosphoryl]methylphosphonic acid
CID 23415554
Diphosphoric acid, dimethyl ester
CID 172142
Diphosphoric acid, P,P,P'-trimethyl ester
CID 116843
CID 160555732
CID 160555732
Nitrilotri(methyl phosphonic acid)
CID 70700175
Dimethyl hydrogen phosphate;hydrate
CID 71344145
[Hydroxy(methoxy)phosphoryl] phosphono hydrogen phosphate;hydrate
CID 449616
Trimethyl phosphate water water
CID 129736564
Methylbis(dihydroxyphosphinylmethyl)phosphinic acid
CID 129805371

Frequently Asked Questions

What is the IUPAC name of [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate?
The IUPAC name of [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate (CID 20588957) is [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate.
What is the SMILES notation for [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate?
The canonical SMILES for [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate is COP(=O)(O)OP(=O)(OC)OC.O.[Pr].
What is the InChIKey of [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate?
The InChIKey is IYHHQBGSGSWUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O7P2.H2O.Pr/c1-7-11(4,5)10-12(6,8-2)9-3;;/h1-3H3,(H,4,5);1H2;.
What are the key properties of [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate?
[hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate has a molecular weight of 378.98 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate is sourced from PubChem (CID 20588957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).