Carbamic acid, monoanhydride with phosphoric acid, dilithium salt

CH4LiNO5P — CID 87130155

IUPAC—
SMILESNC(=O)OP(=O)(O)O.[Li]
InChIInChI=1S/CH4NO5P.Li/c2-1(3)7-8(4,5)6;/h(H2,2,3)(H2,4,5,6);
InChIKeyVSNYYRAGKUJOCA-UHFFFAOYSA-N
MW147.96 g/mol
LogP-1.21
Rot. Bonds1

About Carbamic acid, monoanhydride with phosphoric acid, dilithium salt

Carbamic acid, monoanhydride with phosphoric acid, dilithium salt (PubChem CID 87130155) has the molecular formula CH4LiNO5P and a molecular weight of 147.96 g/mol.

Molecular Properties

Compound NameCarbamic acid, monoanhydride with phosphoric acid, dilithium salt
PubChem CID87130155
Molecular FormulaCH4LiNO5P
Molecular Weight147.96 g/mol
Exact Mass148.00
IUPAC Name—
SMILESNC(=O)OP(=O)(O)O.[Li]
InChIInChI=1S/CH4NO5P.Li/c2-1(3)7-8(4,5)6;/h(H2,2,3)(H2,4,5,6);
InChIKeyVSNYYRAGKUJOCA-UHFFFAOYSA-N
XLogP-1.21
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.96
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;phosphono carbamate
CID 173413043
furan-2,5-dione;phosphono carbamate
CID 174574175
[hydroxy(phosphonooxy)phosphoryl] carbamate
CID 174634052
phosphono 2,2-dihydroxyacetate
CID 18352457
(carbamoylamino) dihydrogen phosphate
CID 57166645
tricalcium;magnesium;hydride;phosphono phosphonooxycarbonyl carbonate
CID 174799176
hexacalcium;diphosphono carbonate;hydride
CID 173199692
phosphono 2-amino-3-hydroxybutanoate
CID 23421193
[ethenoxy(hydroxy)phosphoryl] carbamate
CID 163620088
calcium;(carbamoylamino) dihydrogen phosphate;hydride
CID 174794856
(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;dicarbamoyloxyphosphoryl carbamate
CID 87536738
dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816

Frequently Asked Questions

What is the IUPAC name of Carbamic acid, monoanhydride with phosphoric acid, dilithium salt?
The IUPAC name of Carbamic acid, monoanhydride with phosphoric acid, dilithium salt (CID 87130155) is not available.
What is the SMILES notation for Carbamic acid, monoanhydride with phosphoric acid, dilithium salt?
The canonical SMILES for Carbamic acid, monoanhydride with phosphoric acid, dilithium salt is NC(=O)OP(=O)(O)O.[Li].
What is the InChIKey of Carbamic acid, monoanhydride with phosphoric acid, dilithium salt?
The InChIKey is VSNYYRAGKUJOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO5P.Li/c2-1(3)7-8(4,5)6;/h(H2,2,3)(H2,4,5,6);.
What are the key properties of Carbamic acid, monoanhydride with phosphoric acid, dilithium salt?
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt has a molecular weight of 147.96 g/mol, XLogP of -1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Carbamic acid, monoanhydride with phosphoric acid, dilithium salt is sourced from PubChem (CID 87130155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).