dilithium;hydride;phosphono hydrogen carbonate

CH5Li2O6P — CID 174596841

IUPACdilithium;hydride;phosphono hydrogen carbonate
SMILESO=C(O)OP(=O)(O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/CH3O6P.2Li.2H/c2-1(3)7-8(4,5)6;;;;/h(H,2,3)(H2,4,5,6);;;;/q;2*+1;2*-1
InChIKeyUVTWZBUDCHNMCS-UHFFFAOYSA-N
MW157.90 g/mol
LogP-5.99
Rot. Bonds1

About dilithium;hydride;phosphono hydrogen carbonate

dilithium;hydride;phosphono hydrogen carbonate (PubChem CID 174596841) has the molecular formula CH5Li2O6P and a molecular weight of 157.90 g/mol. Its IUPAC name is dilithium;hydride;phosphono hydrogen carbonate.

Molecular Properties

Compound Namedilithium;hydride;phosphono hydrogen carbonate
PubChem CID174596841
Molecular FormulaCH5Li2O6P
Molecular Weight157.90 g/mol
Exact Mass158.01
IUPAC Namedilithium;hydride;phosphono hydrogen carbonate
SMILESO=C(O)OP(=O)(O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/CH3O6P.2Li.2H/c2-1(3)7-8(4,5)6;;;;/h(H,2,3)(H2,4,5,6);;;;/q;2*+1;2*-1
InChIKeyUVTWZBUDCHNMCS-UHFFFAOYSA-N
XLogP-5.99
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.90
LogP ≤ 5-5.99
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

dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816
potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
CID 175560096
potassium;hydride;phosphono hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
CID 174979038
calcium;azane;[carboxyoxy(hydroxy)phosphoryl] hydrogen carbonate;hydride
CID 174320503
calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate
CID 174664058
hexacalcium;diphosphono carbonate;hydride
CID 173199692
lithium;potassium;phosphono acetate
CID 71300541
sodium;hydride;phosphono carbamate
CID 173413043
tricalcium;magnesium;hydride;phosphono phosphonooxycarbonyl carbonate
CID 174799176
tricalcium;hydride;(E)-4-oxo-4-phosphonooxybut-2-enoic acid
CID 173191619
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155

Frequently Asked Questions

What is the IUPAC name of dilithium;hydride;phosphono hydrogen carbonate?
The IUPAC name of dilithium;hydride;phosphono hydrogen carbonate (CID 174596841) is dilithium;hydride;phosphono hydrogen carbonate.
What is the SMILES notation for dilithium;hydride;phosphono hydrogen carbonate?
The canonical SMILES for dilithium;hydride;phosphono hydrogen carbonate is O=C(O)OP(=O)(O)O.[H-].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;hydride;phosphono hydrogen carbonate?
The InChIKey is UVTWZBUDCHNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O6P.2Li.2H/c2-1(3)7-8(4,5)6;;;;/h(H,2,3)(H2,4,5,6);;;;/q;2*+1;2*-1.
What are the key properties of dilithium;hydride;phosphono hydrogen carbonate?
dilithium;hydride;phosphono hydrogen carbonate has a molecular weight of 157.90 g/mol, XLogP of -5.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydride;phosphono hydrogen carbonate is sourced from PubChem (CID 174596841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).