pentacosasodium;pentacosabromide;decahydrobromide

H10Br35Na25 — CID 173274729

IUPACpentacosasodium;pentacosabromide;decahydrobromide
SMILESBr.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/35BrH.25Na/h35*1H;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;25*+1/p-25
InChIKeyGRAWAGCQXALNGE-UHFFFAOYSA-A
MW3381.47 g/mol
LogP-144.02
Rot. Bonds

About pentacosasodium;pentacosabromide;decahydrobromide

pentacosasodium;pentacosabromide;decahydrobromide (PubChem CID 173274729) has the molecular formula H10Br35Na25 and a molecular weight of 3381.47 g/mol. Its IUPAC name is pentacosasodium;pentacosabromide;decahydrobromide.

Molecular Properties

Compound Namepentacosasodium;pentacosabromide;decahydrobromide
PubChem CID173274729
Molecular FormulaH10Br35Na25
Molecular Weight3381.47 g/mol
Exact Mass3346.96
IUPAC Namepentacosasodium;pentacosabromide;decahydrobromide
SMILESBr.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/35BrH.25Na/h35*1H;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;25*+1/p-25
InChIKeyGRAWAGCQXALNGE-UHFFFAOYSA-A
XLogP-144.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5003381.47
LogP ≤ 5-144.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacosasodium;pentacosabromide;decahydrobromide?
The IUPAC name of pentacosasodium;pentacosabromide;decahydrobromide (CID 173274729) is pentacosasodium;pentacosabromide;decahydrobromide.
What is the SMILES notation for pentacosasodium;pentacosabromide;decahydrobromide?
The canonical SMILES for pentacosasodium;pentacosabromide;decahydrobromide is Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentacosasodium;pentacosabromide;decahydrobromide?
The InChIKey is GRAWAGCQXALNGE-UHFFFAOYSA-A. The full InChI is InChI=1S/35BrH.25Na/h35*1H;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;25*+1/p-25.
What are the key properties of pentacosasodium;pentacosabromide;decahydrobromide?
pentacosasodium;pentacosabromide;decahydrobromide has a molecular weight of 3381.47 g/mol, XLogP of -144.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosasodium;pentacosabromide;decahydrobromide is sourced from PubChem (CID 173274729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).