(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid

C6H19FN2O9P2 — CID 88815315

IUPAC(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid
SMILESNCCCC[C@H](N)C(=O)O.O=P(O)(O)F.O=P(O)(O)O
InChIInChI=1S/C6H14N2O2.FH2O3P.H3O4P/c7-4-2-1-3-5(8)6(9)10;2*1-5(2,3)4/h5H,1-4,7-8H2,(H,9,10);(H2,2,3,4);(H3,1,2,3,4)/t5-;;/m0../s1
InChIKeyNEJJJKUVWAWOJP-XRIGFGBMSA-N
MW344.17 g/mol
LogP-1.35
Rot. Bonds5

About (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid

(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid (PubChem CID 88815315) has the molecular formula C6H19FN2O9P2 and a molecular weight of 344.17 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid
PubChem CID88815315
Molecular FormulaC6H19FN2O9P2
Molecular Weight344.17 g/mol
Exact Mass344.05
IUPAC Name(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid
SMILESNCCCC[C@H](N)C(=O)O.O=P(O)(O)F.O=P(O)(O)O
InChIInChI=1S/C6H14N2O2.FH2O3P.H3O4P/c7-4-2-1-3-5(8)6(9)10;2*1-5(2,3)4/h5H,1-4,7-8H2,(H,9,10);(H2,2,3,4);(H3,1,2,3,4)/t5-;;/m0../s1
InChIKeyNEJJJKUVWAWOJP-XRIGFGBMSA-N
XLogP-1.35
TPSA224.63 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
CID 173459851
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070
2,13-diaminotridecanoic acid
CID 141414897
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid (CID 88815315) is (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid is NCCCC[C@H](N)C(=O)O.O=P(O)(O)F.O=P(O)(O)O.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid?
The InChIKey is NEJJJKUVWAWOJP-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H14N2O2.FH2O3P.H3O4P/c7-4-2-1-3-5(8)6(9)10;2*1-5(2,3)4/h5H,1-4,7-8H2,(H,9,10);(H2,2,3,4);(H3,1,2,3,4)/t5-;;/m0../s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid?
(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid has a molecular weight of 344.17 g/mol, XLogP of -1.35, 5 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid is sourced from PubChem (CID 88815315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).