disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol

C11H30FeN2Na2O11S — CID 173224643

IUPACdisodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol
SMILESC=O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.OSO.[Fe].[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H8N2.4C2H4O2.CH2O.Fe.2Na.H2O2S.2H/c3-1-2-4;4*1-2(3)4;1-2;;;;1-3-2;;/h1-4H2;4*1H3,(H,3,4);1H2;;;;1-2H;;/q;;;;;;;2*+1;;2*-1
InChIKeyDPWUDYZQSJYAKG-UHFFFAOYSA-N
MW500.26 g/mol
LogP-6.02
Rot. Bonds1

About disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol

disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol (PubChem CID 173224643) has the molecular formula C11H30FeN2Na2O11S and a molecular weight of 500.26 g/mol. Its IUPAC name is disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol.

Molecular Properties

Compound Namedisodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol
PubChem CID173224643
Molecular FormulaC11H30FeN2Na2O11S
Molecular Weight500.26 g/mol
Exact Mass500.07
IUPAC Namedisodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol
SMILESC=O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.OSO.[Fe].[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H8N2.4C2H4O2.CH2O.Fe.2Na.H2O2S.2H/c3-1-2-4;4*1-2(3)4;1-2;;;;1-3-2;;/h1-4H2;4*1H3,(H,3,4);1H2;;;;1-2H;;/q;;;;;;;2*+1;;2*-1
InChIKeyDPWUDYZQSJYAKG-UHFFFAOYSA-N
XLogP-6.02
TPSA258.77 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.26
LogP ≤ 5-6.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', '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
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;copper;ethane-1,2-diamine
CID 88782929
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
disodium;acetic acid;ethane-1,2-diamine;diacetate
CID 91971119
acetic acid;azane;ethane-1,2-diamine;dihydrochloride
CID 175302181
CID 173022458
CID 173022458

Frequently Asked Questions

What is the IUPAC name of disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol?
The IUPAC name of disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol (CID 173224643) is disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol.
What is the SMILES notation for disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol?
The canonical SMILES for disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol is C=O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.OSO.[Fe].[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol?
The InChIKey is DPWUDYZQSJYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4C2H4O2.CH2O.Fe.2Na.H2O2S.2H/c3-1-2-4;4*1-2(3)4;1-2;;;;1-3-2;;/h1-4H2;4*1H3,(H,3,4);1H2;;;;1-2H;;/q;;;;;;;2*+1;;2*-1.
What are the key properties of disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol?
disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol has a molecular weight of 500.26 g/mol, XLogP of -6.02, 1 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;acetic acid;ethane-1,2-diamine;formaldehyde;hydride;iron;sulfanediol is sourced from PubChem (CID 173224643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).