formaldehyde;bis(methyl dihydrogen phosphate)

C3H12O9P2 — CID 174780160

IUPACformaldehyde;bis(methyl dihydrogen phosphate)
SMILESC=O.COP(=O)(O)O.COP(=O)(O)O
InChIInChI=1S/2CH5O4P.CH2O/c2*1-5-6(2,3)4;1-2/h2*1H3,(H2,2,3,4);1H2
InChIKeyXHBYXMXLELWZIY-UHFFFAOYSA-N
MW254.07 g/mol
LogP-0.73
Rot. Bonds2

About formaldehyde;bis(methyl dihydrogen phosphate)

formaldehyde;bis(methyl dihydrogen phosphate) (PubChem CID 174780160) has the molecular formula C3H12O9P2 and a molecular weight of 254.07 g/mol. Its IUPAC name is formaldehyde;bis(methyl dihydrogen phosphate).

Molecular Properties

Compound Nameformaldehyde;bis(methyl dihydrogen phosphate)
PubChem CID174780160
Molecular FormulaC3H12O9P2
Molecular Weight254.07 g/mol
Exact Mass254.00
IUPAC Nameformaldehyde;bis(methyl dihydrogen phosphate)
SMILESC=O.COP(=O)(O)O.COP(=O)(O)O
InChIInChI=1S/2CH5O4P.CH2O/c2*1-5-6(2,3)4;1-2/h2*1H3,(H2,2,3,4);1H2
InChIKeyXHBYXMXLELWZIY-UHFFFAOYSA-N
XLogP-0.73
TPSA150.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl acid pyrophosphate
CID 97004
Diphosphoric acid, dimethyl ester
CID 172142
Diphosphoric acid, P,P,P'-trimethyl ester
CID 116843
CID 160555732
CID 160555732
Tetramethyl carbonylbisphosphonate hydrate
CID 22131489
[Hydroxy(methoxy)phosphoryl] phosphono hydrogen phosphate;hydrate
CID 449616
Diphosphono hydrogen phosphate;trimethyl phosphite
CID 18615319
[Hydroxy(methoxy)phosphoryl] dimethyl phosphate;praseodymium;hydrate
CID 20588957
[Hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid
CID 20724708
[Hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate
CID 21317018
Methyl dihydrogen phosphate;phosphoric acid
CID 22508293
Dimethyl hydrogen phosphate;methyl dihydrogen phosphate
CID 44630430

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(methyl dihydrogen phosphate)?
The IUPAC name of formaldehyde;bis(methyl dihydrogen phosphate) (CID 174780160) is formaldehyde;bis(methyl dihydrogen phosphate).
What is the SMILES notation for formaldehyde;bis(methyl dihydrogen phosphate)?
The canonical SMILES for formaldehyde;bis(methyl dihydrogen phosphate) is C=O.COP(=O)(O)O.COP(=O)(O)O.
What is the InChIKey of formaldehyde;bis(methyl dihydrogen phosphate)?
The InChIKey is XHBYXMXLELWZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH5O4P.CH2O/c2*1-5-6(2,3)4;1-2/h2*1H3,(H2,2,3,4);1H2.
What are the key properties of formaldehyde;bis(methyl dihydrogen phosphate)?
formaldehyde;bis(methyl dihydrogen phosphate) has a molecular weight of 254.07 g/mol, XLogP of -0.73, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(methyl dihydrogen phosphate) is sourced from PubChem (CID 174780160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).