[phosphoroso(trioxidanyl)phosphoryl]methane

CH4O5P2 — CID 58729656

IUPAC[phosphoroso(trioxidanyl)phosphoryl]methane
SMILESCP(=O)(OOO)P=O
InChIInChI=1S/CH4O5P2/c1-8(4,7-3)6-5-2/h2H,1H3
InChIKeyYUUQTPFGTVFBKD-UHFFFAOYSA-N
MW157.99 g/mol
LogP1.52
Rot. Bonds3

About [phosphoroso(trioxidanyl)phosphoryl]methane

[phosphoroso(trioxidanyl)phosphoryl]methane (PubChem CID 58729656) has the molecular formula CH4O5P2 and a molecular weight of 157.99 g/mol. Its IUPAC name is [phosphoroso(trioxidanyl)phosphoryl]methane.

Molecular Properties

Compound Name[phosphoroso(trioxidanyl)phosphoryl]methane
PubChem CID58729656
Molecular FormulaCH4O5P2
Molecular Weight157.99 g/mol
Exact Mass157.95
IUPAC Name[phosphoroso(trioxidanyl)phosphoryl]methane
SMILESCP(=O)(OOO)P=O
InChIInChI=1S/CH4O5P2/c1-8(4,7-3)6-5-2/h2H,1H3
InChIKeyYUUQTPFGTVFBKD-UHFFFAOYSA-N
XLogP1.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.99
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of [phosphoroso(trioxidanyl)phosphoryl]methane?
The IUPAC name of [phosphoroso(trioxidanyl)phosphoryl]methane (CID 58729656) is [phosphoroso(trioxidanyl)phosphoryl]methane.
What is the SMILES notation for [phosphoroso(trioxidanyl)phosphoryl]methane?
The canonical SMILES for [phosphoroso(trioxidanyl)phosphoryl]methane is CP(=O)(OOO)P=O.
What is the InChIKey of [phosphoroso(trioxidanyl)phosphoryl]methane?
The InChIKey is YUUQTPFGTVFBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O5P2/c1-8(4,7-3)6-5-2/h2H,1H3.
What are the key properties of [phosphoroso(trioxidanyl)phosphoryl]methane?
[phosphoroso(trioxidanyl)phosphoryl]methane has a molecular weight of 157.99 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [phosphoroso(trioxidanyl)phosphoryl]methane is sourced from PubChem (CID 58729656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).