trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate

CH30Na3O18P — CID 175560096

IUPACtrisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=C(O)OP(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/CH3O6P.3Na.12H2O.3H/c2-1(3)7-8(4,5)6;;;;;;;;;;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;12*1H2;;;/q;3*+1;;;;;;;;;;;;;3*-1
InChIKeyTWLNBQKRPMCXOK-UHFFFAOYSA-N
MW430.18 g/mol
LogP-18.77
Rot. Bonds1

About trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate

trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate (PubChem CID 175560096) has the molecular formula CH30Na3O18P and a molecular weight of 430.18 g/mol. Its IUPAC name is trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate.

Molecular Properties

Compound Nametrisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
PubChem CID175560096
Molecular FormulaCH30Na3O18P
Molecular Weight430.18 g/mol
Exact Mass430.09
IUPAC Nametrisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=C(O)OP(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/CH3O6P.3Na.12H2O.3H/c2-1(3)7-8(4,5)6;;;;;;;;;;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;12*1H2;;;/q;3*+1;;;;;;;;;;;;;3*-1
InChIKeyTWLNBQKRPMCXOK-UHFFFAOYSA-N
XLogP-18.77
TPSA482.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.18
LogP ≤ 5-18.77
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

potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
dilithium;hydride;phosphono hydrogen carbonate
CID 174596841
dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816
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
sodium;hydride;phosphono carbamate
CID 173413043
calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate
CID 174664058
hexacalcium;diphosphono carbonate;hydride
CID 173199692
potassium;sodium;hydride;phosphono dihydrogen phosphate;trihydrate
CID 175108707
sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid
CID 175451880
tetrasodium;hydride;phosphoric acid;decahydrate
CID 173083849
sodium;hydride;phosphono 2-methylprop-2-enoate
CID 174967425

Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate?
The IUPAC name of trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate (CID 175560096) is trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate.
What is the SMILES notation for trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate?
The canonical SMILES for trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=C(O)OP(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate?
The InChIKey is TWLNBQKRPMCXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O6P.3Na.12H2O.3H/c2-1(3)7-8(4,5)6;;;;;;;;;;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;12*1H2;;;/q;3*+1;;;;;;;;;;;;;3*-1.
What are the key properties of trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate?
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate has a molecular weight of 430.18 g/mol, XLogP of -18.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate is sourced from PubChem (CID 175560096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).