hydroperoxymethanediol;phosphane

CH7O4P — CID 174894186

IUPAChydroperoxymethanediol;phosphane
SMILESOOC(O)O.P
InChIInChI=1S/CH4O4.H3P/c2-1(3)5-4;/h1-4H;1H3
InChIKeyBHYHICRJBNDLHA-UHFFFAOYSA-N
MW114.04 g/mol
LogP-1.20
Rot. Bonds1

About hydroperoxymethanediol;phosphane

hydroperoxymethanediol;phosphane (PubChem CID 174894186) has the molecular formula CH7O4P and a molecular weight of 114.04 g/mol. Its IUPAC name is hydroperoxymethanediol;phosphane.

Molecular Properties

Compound Namehydroperoxymethanediol;phosphane
PubChem CID174894186
Molecular FormulaCH7O4P
Molecular Weight114.04 g/mol
Exact Mass114.01
IUPAC Namehydroperoxymethanediol;phosphane
SMILESOOC(O)O.P
InChIInChI=1S/CH4O4.H3P/c2-1(3)5-4;/h1-4H;1H3
InChIKeyBHYHICRJBNDLHA-UHFFFAOYSA-N
XLogP-1.20
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.04
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol
CID 87310035
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
methanol;methoxymethanediol
CID 162244729
4-hydroperoxy-3-methylpentan-2-ol
CID 140902034
hexakis(ethane-1,1,2,2-tetrol);ruthenium;tetrahydrate
CID 58875440
dihydroxymethoxymethoxymethanediol
CID 123857902
CID 174684827
CID 174684827
CID 135334439
CID 135334439
(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol
CID 135040544
bis(dihydroxymethyl) sulfite
CID 174749902
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
bis(2-hydroperoxypropane);oxotitanium;dihydrochloride
CID 88685018

Frequently Asked Questions

What is the IUPAC name of hydroperoxymethanediol;phosphane?
The IUPAC name of hydroperoxymethanediol;phosphane (CID 174894186) is hydroperoxymethanediol;phosphane.
What is the SMILES notation for hydroperoxymethanediol;phosphane?
The canonical SMILES for hydroperoxymethanediol;phosphane is OOC(O)O.P.
What is the InChIKey of hydroperoxymethanediol;phosphane?
The InChIKey is BHYHICRJBNDLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4.H3P/c2-1(3)5-4;/h1-4H;1H3.
What are the key properties of hydroperoxymethanediol;phosphane?
hydroperoxymethanediol;phosphane has a molecular weight of 114.04 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethanediol;phosphane is sourced from PubChem (CID 174894186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).