2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid

C6H17N2O7P — CID 21126144

IUPAC2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
SMILESNCC(O)CCC(N)C(=O)O.O=P(O)(O)O
InChIInChI=1S/C6H14N2O3.H3O4P/c7-3-4(9)1-2-5(8)6(10)11;1-5(2,3)4/h4-5,9H,1-3,7-8H2,(H,10,11);(H3,1,2,3,4)
InChIKeyKSHGDGLJAGEBQA-UHFFFAOYSA-N
MW260.18 g/mol
LogP-2.43
Rot. Bonds5

About 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid

2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid (PubChem CID 21126144) has the molecular formula C6H17N2O7P and a molecular weight of 260.18 g/mol. Its IUPAC name is 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid.

Molecular Properties

Compound Name2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
PubChem CID21126144
Molecular FormulaC6H17N2O7P
Molecular Weight260.18 g/mol
Exact Mass260.08
IUPAC Name2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
SMILESNCC(O)CCC(N)C(=O)O.O=P(O)(O)O
InChIInChI=1S/C6H14N2O3.H3O4P/c7-3-4(9)1-2-5(8)6(10)11;1-5(2,3)4/h4-5,9H,1-3,7-8H2,(H,10,11);(H3,1,2,3,4)
InChIKeyKSHGDGLJAGEBQA-UHFFFAOYSA-N
XLogP-2.43
TPSA187.33 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.18
LogP ≤ 5-2.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
CID 2724399
(2S)-2,6-diamino-5-deuteriooxyhexanoic acid
CID 57084949
(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 170901472
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2,6-diamino-5-hydroxyhexanoyl chloride
CID 57041399
2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal
CID 175432317
2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
CID 22099142
2-amino-6-[(5-amino-5-carboxy-2-hydroxypentyl)amino]-5-hydroxyhexanoic acid
CID 73069397
potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
CID 173459851
(2S,5R)-6-amino-2-[bis(phosphonomethyl)amino]-5-hydroxyhexanoic acid
CID 87463549
(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid
CID 88815315

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid?
The IUPAC name of 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid (CID 21126144) is 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid.
What is the SMILES notation for 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid?
The canonical SMILES for 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid is NCC(O)CCC(N)C(=O)O.O=P(O)(O)O.
What is the InChIKey of 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid?
The InChIKey is KSHGDGLJAGEBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3.H3O4P/c7-3-4(9)1-2-5(8)6(10)11;1-5(2,3)4/h4-5,9H,1-3,7-8H2,(H,10,11);(H3,1,2,3,4).
What are the key properties of 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid?
2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid has a molecular weight of 260.18 g/mol, XLogP of -2.43, 5 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid is sourced from PubChem (CID 21126144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).