(2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol

C11H23NO4 — CID 170858132

IUPAC(2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol
SMILESCCCCC/N=C/[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O
InChIInChI=1S/C11H23NO4/c1-3-4-5-6-12-7-9(14)11(16)10(15)8(2)13/h7-11,13-16H,3-6H2,1-2H3/b12-7+/t8-,9+,10+,11-/m0/s1
InChIKeyXHLCTZWOHRJHLL-KOUMMCQUSA-N
MW233.31 g/mol
LogP-0.29
Rot. Bonds8

About (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol

(2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol (PubChem CID 170858132) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol
PubChem CID170858132
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name(2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol
SMILESCCCCC/N=C/[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O
InChIInChI=1S/C11H23NO4/c1-3-4-5-6-12-7-9(14)11(16)10(15)8(2)13/h7-11,13-16H,3-6H2,1-2H3/b12-7+/t8-,9+,10+,11-/m0/s1
InChIKeyXHLCTZWOHRJHLL-KOUMMCQUSA-N
XLogP-0.29
TPSA93.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5S)-6-butylimino-2-ethylhexane-1,3,4,5-tetrol
CID 87995715
(3R,4R,5S)-2-hexyliminohexane-1,3,4,5-tetrol
CID 87433785
N-butyl-2-ethyl-3-methylbutan-1-imine
CID 167084684
ethyl 3-butylimino-2-methylpropanoate
CID 57183521
tridecane-2,3,4-triol
CID 90443062
octane;propan-2-ol
CID 160746796
N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide
CID 70412164
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal
CID 86754028
2-methyl-N-pentylprop-2-en-1-imine
CID 169090203
(2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 121006907
2-tetradecyliminoacetic acid
CID 88692071

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol?
The IUPAC name of (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol (CID 170858132) is (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol is CCCCC/N=C/[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O.
What is the InChIKey of (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol?
The InChIKey is XHLCTZWOHRJHLL-KOUMMCQUSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-4-5-6-12-7-9(14)11(16)10(15)8(2)13/h7-11,13-16H,3-6H2,1-2H3/b12-7+/t8-,9+,10+,11-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol?
(2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol has a molecular weight of 233.31 g/mol, XLogP of -0.29, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol is sourced from PubChem (CID 170858132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).