(4R)-4-aminooxy-2,3,5-trihydroxyheptanal

C7H15NO5 — CID 118983712

IUPAC(4R)-4-aminooxy-2,3,5-trihydroxyheptanal
SMILESCCC(O)[C@@H](ON)C(O)C(O)C=O
InChIInChI=1S/C7H15NO5/c1-2-4(10)7(13-8)6(12)5(11)3-9/h3-7,10-12H,2,8H2,1H3/t4?,5?,6?,7-/m1/s1
InChIKeySETFOGOJLXHZKL-MXFXWPKCSA-N
MW193.20 g/mol
LogP-2.06
Rot. Bonds6

About (4R)-4-aminooxy-2,3,5-trihydroxyheptanal

(4R)-4-aminooxy-2,3,5-trihydroxyheptanal (PubChem CID 118983712) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (4R)-4-aminooxy-2,3,5-trihydroxyheptanal.

Molecular Properties

Compound Name(4R)-4-aminooxy-2,3,5-trihydroxyheptanal
PubChem CID118983712
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(4R)-4-aminooxy-2,3,5-trihydroxyheptanal
SMILESCCC(O)[C@@H](ON)C(O)C(O)C=O
InChIInChI=1S/C7H15NO5/c1-2-4(10)7(13-8)6(12)5(11)3-9/h3-7,10-12H,2,8H2,1H3/t4?,5?,6?,7-/m1/s1
InChIKeySETFOGOJLXHZKL-MXFXWPKCSA-N
XLogP-2.06
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4R)-4-aminooxy-2,3,5-trihydroxyheptanal 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

(2R,3R)-2-hydroxy-3-methylpentanal
CID 89028923
2,3,4-trihydroxy-5-methylsulfanylpentanal
CID 5460328
ethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 131845981
ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 88521604
[(2R,3S,4R,5R)-2,4,5-trihydroxy-6-oxo-3-(2-oxopropanoyloxy)hexyl] 2-oxopropanoate
CID 57346805
ethanethiol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 87528291
[(2R,3R,4S)-1,2,4-trihydroxy-5-oxopentan-3-yl] 2-hydroxybutanoate
CID 87837698
O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
CID 87279976
propyl 2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 21477324
[(2R,3S,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl] hydrogen sulfate
CID 22826301
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023

Frequently Asked Questions

What is the IUPAC name of (4R)-4-aminooxy-2,3,5-trihydroxyheptanal?
The IUPAC name of (4R)-4-aminooxy-2,3,5-trihydroxyheptanal (CID 118983712) is (4R)-4-aminooxy-2,3,5-trihydroxyheptanal.
What is the SMILES notation for (4R)-4-aminooxy-2,3,5-trihydroxyheptanal?
The canonical SMILES for (4R)-4-aminooxy-2,3,5-trihydroxyheptanal is CCC(O)[C@@H](ON)C(O)C(O)C=O.
What is the InChIKey of (4R)-4-aminooxy-2,3,5-trihydroxyheptanal?
The InChIKey is SETFOGOJLXHZKL-MXFXWPKCSA-N. The full InChI is InChI=1S/C7H15NO5/c1-2-4(10)7(13-8)6(12)5(11)3-9/h3-7,10-12H,2,8H2,1H3/t4?,5?,6?,7-/m1/s1.
What are the key properties of (4R)-4-aminooxy-2,3,5-trihydroxyheptanal?
(4R)-4-aminooxy-2,3,5-trihydroxyheptanal has a molecular weight of 193.20 g/mol, XLogP of -2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-aminooxy-2,3,5-trihydroxyheptanal is sourced from PubChem (CID 118983712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).