furan-2,5-dione;phosphono carbamate

C5H6NO8P — CID 174574175

IUPACfuran-2,5-dione;phosphono carbamate
SMILESNC(=O)OP(=O)(O)O.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.CH4NO5P/c5-3-1-2-4(6)7-3;2-1(3)7-8(4,5)6/h1-2H;(H2,2,3)(H2,4,5,6)
InChIKeyYXTMXDXLYAYOPI-UHFFFAOYSA-N
MW239.08 g/mol
LogP-1.20
Rot. Bonds1

About furan-2,5-dione;phosphono carbamate

furan-2,5-dione;phosphono carbamate (PubChem CID 174574175) has the molecular formula C5H6NO8P and a molecular weight of 239.08 g/mol. Its IUPAC name is furan-2,5-dione;phosphono carbamate.

Molecular Properties

Compound Namefuran-2,5-dione;phosphono carbamate
PubChem CID174574175
Molecular FormulaC5H6NO8P
Molecular Weight239.08 g/mol
Exact Mass238.98
IUPAC Namefuran-2,5-dione;phosphono carbamate
SMILESNC(=O)OP(=O)(O)O.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.CH4NO5P/c5-3-1-2-4(6)7-3;2-1(3)7-8(4,5)6/h1-2H;(H2,2,3)(H2,4,5,6)
InChIKeyYXTMXDXLYAYOPI-UHFFFAOYSA-N
XLogP-1.20
TPSA153.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;phosphono carbamate?
The IUPAC name of furan-2,5-dione;phosphono carbamate (CID 174574175) is furan-2,5-dione;phosphono carbamate.
What is the SMILES notation for furan-2,5-dione;phosphono carbamate?
The canonical SMILES for furan-2,5-dione;phosphono carbamate is NC(=O)OP(=O)(O)O.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;phosphono carbamate?
The InChIKey is YXTMXDXLYAYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O3.CH4NO5P/c5-3-1-2-4(6)7-3;2-1(3)7-8(4,5)6/h1-2H;(H2,2,3)(H2,4,5,6).
What are the key properties of furan-2,5-dione;phosphono carbamate?
furan-2,5-dione;phosphono carbamate has a molecular weight of 239.08 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;phosphono carbamate is sourced from PubChem (CID 174574175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).