[hydroperoxy(methyl)phosphoryl]oxymethanol

C2H7O5P — CID 87159447

IUPAC[hydroperoxy(methyl)phosphoryl]oxymethanol
SMILESCP(=O)(OO)OCO
InChIInChI=1S/C2H7O5P/c1-8(5,7-4)6-2-3/h3-4H,2H2,1H3
InChIKeyKVNYYOITZCVYHQ-UHFFFAOYSA-N
MW142.05 g/mol
LogP0.27
Rot. Bonds3

About [hydroperoxy(methyl)phosphoryl]oxymethanol

[hydroperoxy(methyl)phosphoryl]oxymethanol (PubChem CID 87159447) has the molecular formula C2H7O5P and a molecular weight of 142.05 g/mol. Its IUPAC name is [hydroperoxy(methyl)phosphoryl]oxymethanol.

Molecular Properties

Compound Name[hydroperoxy(methyl)phosphoryl]oxymethanol
PubChem CID87159447
Molecular FormulaC2H7O5P
Molecular Weight142.05 g/mol
Exact Mass142.00
IUPAC Name[hydroperoxy(methyl)phosphoryl]oxymethanol
SMILESCP(=O)(OO)OCO
InChIInChI=1S/C2H7O5P/c1-8(5,7-4)6-2-3/h3-4H,2H2,1H3
InChIKeyKVNYYOITZCVYHQ-UHFFFAOYSA-N
XLogP0.27
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.05
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(hydroxymethoxy)phosphoryl bis(hydroxymethyl) phosphate
CID 91170796
bis(hydroxymethyl) hydrogen phosphate
CID 18504364
ethyl hydroxymethyl phosphate
CID 153073426
hydroxymethyl hydrogen phosphate;methane;propane
CID 159004850
butane-1,4-diol;bis(dimethylphosphinic acid)
CID 87843342
1-[hydroxy(hydroxymethoxy)phosphoryl]ethylphosphonic acid
CID 175165576
guanidine;hydroxymethyl dihydrogen phosphate
CID 87849395
1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
CID 14451329
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
hydroxy dihydrogen phosphate;propane-1,2-diol
CID 174923679
N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine
CID 174292375
2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine
CID 88828638

Frequently Asked Questions

What is the IUPAC name of [hydroperoxy(methyl)phosphoryl]oxymethanol?
The IUPAC name of [hydroperoxy(methyl)phosphoryl]oxymethanol (CID 87159447) is [hydroperoxy(methyl)phosphoryl]oxymethanol.
What is the SMILES notation for [hydroperoxy(methyl)phosphoryl]oxymethanol?
The canonical SMILES for [hydroperoxy(methyl)phosphoryl]oxymethanol is CP(=O)(OO)OCO.
What is the InChIKey of [hydroperoxy(methyl)phosphoryl]oxymethanol?
The InChIKey is KVNYYOITZCVYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O5P/c1-8(5,7-4)6-2-3/h3-4H,2H2,1H3.
What are the key properties of [hydroperoxy(methyl)phosphoryl]oxymethanol?
[hydroperoxy(methyl)phosphoryl]oxymethanol has a molecular weight of 142.05 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroperoxy(methyl)phosphoryl]oxymethanol is sourced from PubChem (CID 87159447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).