disodium;3,4-diaminobutane-2,2-diol;hydride

C4H14N2Na2O2 — CID 173241441

IUPACdisodium;3,4-diaminobutane-2,2-diol;hydride
SMILESCC(O)(O)C(N)CN.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H12N2O2.2Na.2H/c1-4(7,8)3(6)2-5;;;;/h3,7-8H,2,5-6H2,1H3;;;;/q;2*+1;2*-1
InChIKeyHOAAOJPQBYUZRD-UHFFFAOYSA-N
MW168.15 g/mol
LogP-7.79
Rot. Bonds2

About disodium;3,4-diaminobutane-2,2-diol;hydride

disodium;3,4-diaminobutane-2,2-diol;hydride (PubChem CID 173241441) has the molecular formula C4H14N2Na2O2 and a molecular weight of 168.15 g/mol. Its IUPAC name is disodium;3,4-diaminobutane-2,2-diol;hydride.

Molecular Properties

Compound Namedisodium;3,4-diaminobutane-2,2-diol;hydride
PubChem CID173241441
Molecular FormulaC4H14N2Na2O2
Molecular Weight168.15 g/mol
Exact Mass168.09
IUPAC Namedisodium;3,4-diaminobutane-2,2-diol;hydride
SMILESCC(O)(O)C(N)CN.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H12N2O2.2Na.2H/c1-4(7,8)3(6)2-5;;;;/h3,7-8H,2,5-6H2,1H3;;;;/q;2*+1;2*-1
InChIKeyHOAAOJPQBYUZRD-UHFFFAOYSA-N
XLogP-7.79
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-7.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 87644309
CID 87644309
1-aminopropane-1,2,2-triol
CID 89487611
disodium;1,2-diaminoethanol;hydride
CID 175201156
3-methylpentane-1,2,3,4-tetramine
CID 90456195
3-amino-4-methylpentane-1,4-diol
CID 58522169
(2S)-propane-1,2-diamine
CID 642322
3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid
CID 87840763
(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959
CID 87644957
CID 87644957
6-amino-2-methylheptan-2-ol;1-aminopropan-2-ol
CID 175340151
(4S)-5-amino-2,4-dimethylpentan-2-ol
CID 97010229
5-amino-2,4-dimethylpentan-2-ol
CID 83681746

Frequently Asked Questions

What is the IUPAC name of disodium;3,4-diaminobutane-2,2-diol;hydride?
The IUPAC name of disodium;3,4-diaminobutane-2,2-diol;hydride (CID 173241441) is disodium;3,4-diaminobutane-2,2-diol;hydride.
What is the SMILES notation for disodium;3,4-diaminobutane-2,2-diol;hydride?
The canonical SMILES for disodium;3,4-diaminobutane-2,2-diol;hydride is CC(O)(O)C(N)CN.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;3,4-diaminobutane-2,2-diol;hydride?
The InChIKey is HOAAOJPQBYUZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2.2Na.2H/c1-4(7,8)3(6)2-5;;;;/h3,7-8H,2,5-6H2,1H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;3,4-diaminobutane-2,2-diol;hydride?
disodium;3,4-diaminobutane-2,2-diol;hydride has a molecular weight of 168.15 g/mol, XLogP of -7.79, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3,4-diaminobutane-2,2-diol;hydride is sourced from PubChem (CID 173241441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).