(2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate

C6H14MnN2O6S — CID 162033415

IUPAC(2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate
SMILESNCCCC[C@H](N)C(=O)O.O=S(=O)([O-])[O-].[Mn+2]
InChIInChI=1S/C6H14N2O2.Mn.H2O4S/c7-4-2-1-3-5(8)6(9)10;;1-5(2,3)4/h5H,1-4,7-8H2,(H,9,10);;(H2,1,2,3,4)/q;+2;/p-2/t5-;;/m0../s1
InChIKeyYWIJPMXHGAGGJM-XRIGFGBMSA-L
MW297.19 g/mol
LogP-1.81
Rot. Bonds5

About (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate

(2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate (PubChem CID 162033415) has the molecular formula C6H14MnN2O6S and a molecular weight of 297.19 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate
PubChem CID162033415
Molecular FormulaC6H14MnN2O6S
Molecular Weight297.19 g/mol
Exact Mass297.00
IUPAC Name(2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate
SMILESNCCCC[C@H](N)C(=O)O.O=S(=O)([O-])[O-].[Mn+2]
InChIInChI=1S/C6H14N2O2.Mn.H2O4S/c7-4-2-1-3-5(8)6(9)10;;1-5(2,3)4/h5H,1-4,7-8H2,(H,9,10);;(H2,1,2,3,4)/q;+2;/p-2/t5-;;/m0../s1
InChIKeyYWIJPMXHGAGGJM-XRIGFGBMSA-L
XLogP-1.81
TPSA169.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2,6-diaminohexanoic acid;hydrogen sulfate
CID 10377113
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
CID 158432126
CID 158432126
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate (CID 162033415) is (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate is NCCCC[C@H](N)C(=O)O.O=S(=O)([O-])[O-].[Mn+2].
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate?
The InChIKey is YWIJPMXHGAGGJM-XRIGFGBMSA-L. The full InChI is InChI=1S/C6H14N2O2.Mn.H2O4S/c7-4-2-1-3-5(8)6(9)10;;1-5(2,3)4/h5H,1-4,7-8H2,(H,9,10);;(H2,1,2,3,4)/q;+2;/p-2/t5-;;/m0../s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate?
(2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate has a molecular weight of 297.19 g/mol, XLogP of -1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;manganese(2+);sulfate is sourced from PubChem (CID 162033415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).