CID 172703718

Na2O18 — CID 172703718

IUPAC—
SMILES[Na+].[Na+].[O-]OOOOOOOOOOOOOOOO[O-]
InChIInChI=1S/2Na.H2O18/c;;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h;;1-2H/q2*+1;/p-2
InChIKeyDHNWEOVIMJNHDL-UHFFFAOYSA-L
MW333.96 g/mol
LogP-9.46
Rot. Bonds15

About CID 172703718

CID 172703718 (PubChem CID 172703718) has the molecular formula Na2O18 and a molecular weight of 333.96 g/mol.

Molecular Properties

Compound NameCID 172703718
PubChem CID172703718
Molecular FormulaNa2O18
Molecular Weight333.96 g/mol
Exact Mass333.89
IUPAC Name—
SMILES[Na+].[Na+].[O-]OOOOOOOOOOOOOOOO[O-]
InChIInChI=1S/2Na.H2O18/c;;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h;;1-2H/q2*+1;/p-2
InChIKeyDHNWEOVIMJNHDL-UHFFFAOYSA-L
XLogP-9.46
TPSA193.80 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.96
LogP ≤ 5-9.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 158179460
2-oxidooxyperoxyperoxypropane
CID 18339915
oxido-oxidooxyperoxyperoxy-oxo-sulfanylidene-λ6-sulfane
CID 58846487
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CID 160509220
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxy oxidoperoxyperoxyperoxyperoxyperoxyperoxyperoxy [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
CID 59824610
CID 18688949
CID 18688949
CID 172807343
CID 172807343
CID 173042652
CID 173042652
CID 18673469
CID 18673469
oxidooxyoxidanium
CID 58604412
sodium methanesulfonoperoxoate
CID 59815177
dipotassium;dioxido(dioxo)ruthenium
CID 4247558

Frequently Asked Questions

What is the IUPAC name of CID 172703718?
The IUPAC name of CID 172703718 (CID 172703718) is not available.
What is the SMILES notation for CID 172703718?
The canonical SMILES for CID 172703718 is [Na+].[Na+].[O-]OOOOOOOOOOOOOOOO[O-].
What is the InChIKey of CID 172703718?
The InChIKey is DHNWEOVIMJNHDL-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H2O18/c;;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h;;1-2H/q2*+1;/p-2.
What are the key properties of CID 172703718?
CID 172703718 has a molecular weight of 333.96 g/mol, XLogP of -9.46, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172703718 is sourced from PubChem (CID 172703718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).