trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate

C10H27N2Na3O7 — CID 173012701

IUPACtrisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)OC(C)O.NCCN.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H8O3.C2H8N2.2C2H4O2.3Na.3H/c1-3(5)7-4(2)6;3-1-2-4;2*1-2(3)4;;;;;;/h3,5H,1-2H3;1-4H2;2*1H3,(H,3,4);;;;;;/q;;;;3*+1;3*-1
InChIKeyBPFGQNNWJOBLRG-UHFFFAOYSA-N
MW356.30 g/mol
LogP-9.68
Rot. Bonds2

About trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate

trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate (PubChem CID 173012701) has the molecular formula C10H27N2Na3O7 and a molecular weight of 356.30 g/mol. Its IUPAC name is trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate.

Molecular Properties

Compound Nametrisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate
PubChem CID173012701
Molecular FormulaC10H27N2Na3O7
Molecular Weight356.30 g/mol
Exact Mass356.15
IUPAC Nametrisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)OC(C)O.NCCN.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H8O3.C2H8N2.2C2H4O2.3Na.3H/c1-3(5)7-4(2)6;3-1-2-4;2*1-2(3)4;;;;;;/h3,5H,1-2H3;1-4H2;2*1H3,(H,3,4);;;;;;/q;;;;3*+1;3*-1
InChIKeyBPFGQNNWJOBLRG-UHFFFAOYSA-N
XLogP-9.68
TPSA173.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 5-9.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tetrasodium;acetic acid;ethane-1,2-diamine;hydride
CID 173109232
disodium;acetic acid;cobalt;ethane-1,2-diamine;hydride
CID 173463386
acetic acid;copper;ethane-1,2-diamine
CID 88782929
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 173086150
CID 173086150
acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine
CID 160667844
disodium;acetic acid;hydride;1-hydroxyethyl cyanoformate
CID 173459938
disodium;acetic acid;ethane-1,2-diamine;diacetate
CID 91971119

Frequently Asked Questions

What is the IUPAC name of trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate?
The IUPAC name of trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate (CID 173012701) is trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate.
What is the SMILES notation for trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate?
The canonical SMILES for trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate is CC(=O)O.CC(=O)O.CC(=O)OC(C)O.NCCN.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate?
The InChIKey is BPFGQNNWJOBLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C2H8N2.2C2H4O2.3Na.3H/c1-3(5)7-4(2)6;3-1-2-4;2*1-2(3)4;;;;;;/h3,5H,1-2H3;1-4H2;2*1H3,(H,3,4);;;;;;/q;;;;3*+1;3*-1.
What are the key properties of trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate?
trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate has a molecular weight of 356.30 g/mol, XLogP of -9.68, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate is sourced from PubChem (CID 173012701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).