calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate

CH6CaO9P2 — CID 174664058

IUPACcalcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate
SMILESO=C(O)OP(=O)(O)OP(=O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH4O9P2.Ca.2H/c2-1(3)9-12(7,8)10-11(4,5)6;;;/h(H,2,3)(H,7,8)(H2,4,5,6);;;/q;+2;2*-1
InChIKeySAPZJTUREZDMBS-UHFFFAOYSA-N
MW264.08 g/mol
LogP-0.27
Rot. Bonds3

About calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate

calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate (PubChem CID 174664058) has the molecular formula CH6CaO9P2 and a molecular weight of 264.08 g/mol. Its IUPAC name is calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate.

Molecular Properties

Compound Namecalcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate
PubChem CID174664058
Molecular FormulaCH6CaO9P2
Molecular Weight264.08 g/mol
Exact Mass263.91
IUPAC Namecalcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate
SMILESO=C(O)OP(=O)(O)OP(=O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH4O9P2.Ca.2H/c2-1(3)9-12(7,8)10-11(4,5)6;;;/h(H,2,3)(H,7,8)(H2,4,5,6);;;/q;+2;2*-1
InChIKeySAPZJTUREZDMBS-UHFFFAOYSA-N
XLogP-0.27
TPSA150.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;azane;[carboxyoxy(hydroxy)phosphoryl] hydrogen carbonate;hydride
CID 174320503
dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816
dilithium;hydride;phosphono hydrogen carbonate
CID 174596841
[hydroxy(phosphonooxy)phosphoryl] carbamate
CID 174634052
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
CID 175560096
calcium;hydride;phosphanyl phosphono hydrogen phosphate
CID 174666980
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate?
The IUPAC name of calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate (CID 174664058) is calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate.
What is the SMILES notation for calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate?
The canonical SMILES for calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate is O=C(O)OP(=O)(O)OP(=O)(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate?
The InChIKey is SAPZJTUREZDMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O9P2.Ca.2H/c2-1(3)9-12(7,8)10-11(4,5)6;;;/h(H,2,3)(H,7,8)(H2,4,5,6);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate?
calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate has a molecular weight of 264.08 g/mol, XLogP of -0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate is sourced from PubChem (CID 174664058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).