CID 162139470

CH6Na4O6P2 — CID 162139470

IUPAC—
SMILESO=P(O)(O)CP(=O)(O)O.[Na].[Na].[Na].[Na]
InChIInChI=1S/CH6O6P2.4Na/c2-8(3,4)1-9(5,6)7;;;;/h1H2,(H2,2,3,4)(H2,5,6,7);;;;
InChIKeyZJSSWAVOYQWUBP-UHFFFAOYSA-N
MW267.96 g/mol
LogP-2.22
Rot. Bonds2

About CID 162139470

CID 162139470 (PubChem CID 162139470) has the molecular formula CH6Na4O6P2 and a molecular weight of 267.96 g/mol.

Molecular Properties

Compound NameCID 162139470
PubChem CID162139470
Molecular FormulaCH6Na4O6P2
Molecular Weight267.96 g/mol
Exact Mass267.92
IUPAC Name—
SMILESO=P(O)(O)CP(=O)(O)O.[Na].[Na].[Na].[Na]
InChIInChI=1S/CH6O6P2.4Na/c2-8(3,4)1-9(5,6)7;;;;/h1H2,(H2,2,3,4)(H2,5,6,7);;;;
InChIKeyZJSSWAVOYQWUBP-UHFFFAOYSA-N
XLogP-2.22
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.96
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phosphonomethylphosphonic acid;phosphoric acid
CID 174390883
azane;phosphonomethylphosphonic acid
CID 18674565
acetamide;phosphonomethylphosphonic acid
CID 19382971
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
phosphonatomethylphosphonic acid
CID 136758999
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
CID 159816390
CID 159816390
Sodium phosphate dibasic, p.a.
CID 86587427
sodium;ethylphosphonic acid;hydride
CID 173023675
[ethenyl(hydroxy)phosphoryl]methylphosphonic acid
CID 21059595
N'-(3-aminopropyl)propane-1,3-diamine;phosphonomethylphosphonic acid
CID 18373608

Frequently Asked Questions

What is the IUPAC name of CID 162139470?
The IUPAC name of CID 162139470 (CID 162139470) is not available.
What is the SMILES notation for CID 162139470?
The canonical SMILES for CID 162139470 is O=P(O)(O)CP(=O)(O)O.[Na].[Na].[Na].[Na].
What is the InChIKey of CID 162139470?
The InChIKey is ZJSSWAVOYQWUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6O6P2.4Na/c2-8(3,4)1-9(5,6)7;;;;/h1H2,(H2,2,3,4)(H2,5,6,7);;;;.
What are the key properties of CID 162139470?
CID 162139470 has a molecular weight of 267.96 g/mol, XLogP of -2.22, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162139470 is sourced from PubChem (CID 162139470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).