CID 23618830

CaO8P2-6 — CID 23618830

IUPAC—
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca]
InChIInChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/p-6
InChIKeyPGBVWURQHRYYHB-UHFFFAOYSA-H
MW230.02 g/mol
LogP-6.03
Rot. Bonds

About CID 23618830

CID 23618830 (PubChem CID 23618830) has the molecular formula CaO8P2-6 and a molecular weight of 230.02 g/mol.

Molecular Properties

Compound NameCID 23618830
PubChem CID23618830
Molecular FormulaCaO8P2-6
Molecular Weight230.02 g/mol
Exact Mass229.87
IUPAC Name—
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca]
InChIInChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/p-6
InChIKeyPGBVWURQHRYYHB-UHFFFAOYSA-H
XLogP-6.03
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 5-6.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 158150177
CID 158150177
methane phosphate
CID 22352647
CID 23618823
CID 23618823
dipotassium diphosphate
CID 18612384
sodium phosphate
CID 21225609
hydron;phosphate
CID 19972274
zinc phosphate
CID 131721340
gadolinium phosphate
CID 6365243
dysprosium(3+) phosphate
CID 14671408
bis(manganese(2+)) diphosphate
CID 21124543
molybdenum diphosphate
CID 22395595
octadecaazanium;hexaphosphate
CID 158249396

Frequently Asked Questions

What is the IUPAC name of CID 23618830?
The IUPAC name of CID 23618830 (CID 23618830) is not available.
What is the SMILES notation for CID 23618830?
The canonical SMILES for CID 23618830 is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca].
What is the InChIKey of CID 23618830?
The InChIKey is PGBVWURQHRYYHB-UHFFFAOYSA-H. The full InChI is InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/p-6.
What are the key properties of CID 23618830?
CID 23618830 has a molecular weight of 230.02 g/mol, XLogP of -6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23618830 is sourced from PubChem (CID 23618830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).