2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride

C10H24ClNO6 — CID 138673415

IUPAC2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride
SMILESC[N+](C)(C)CCO.O=CC(O)C(O)C(O)CO.[Cl-]
InChIInChI=1S/C5H14NO.C5H10O5.ClH/c1-6(2,3)4-5-7;6-1-3(8)5(10)4(9)2-7;/h7H,4-5H2,1-3H3;1,3-5,7-10H,2H2;1H/q+1;;/p-1
InChIKeyMCVLPYLQZPIGAL-UHFFFAOYSA-M
MW289.76 g/mol
LogP-6.05
Rot. Bonds6

About 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride

2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride (PubChem CID 138673415) has the molecular formula C10H24ClNO6 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride
PubChem CID138673415
Molecular FormulaC10H24ClNO6
Molecular Weight289.76 g/mol
Exact Mass289.13
IUPAC Name2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride
SMILESC[N+](C)(C)CCO.O=CC(O)C(O)C(O)CO.[Cl-]
InChIInChI=1S/C5H14NO.C5H10O5.ClH/c1-6(2,3)4-5-7;6-1-3(8)5(10)4(9)2-7;/h7H,4-5H2,1-3H3;1,3-5,7-10H,2H2;1H/q+1;;/p-1
InChIKeyMCVLPYLQZPIGAL-UHFFFAOYSA-M
XLogP-6.05
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 5-6.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808
(2R,3R,4R)-2,3,4,5-tetrahydroxy(2,3,4,5-13C4)pentanal
CID 87229143
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 88521604
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
ethanethiol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 87528291
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride (CID 138673415) is 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride is C[N+](C)(C)CCO.O=CC(O)C(O)C(O)CO.[Cl-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride?
The InChIKey is MCVLPYLQZPIGAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.C5H10O5.ClH/c1-6(2,3)4-5-7;6-1-3(8)5(10)4(9)2-7;/h7H,4-5H2,1-3H3;1,3-5,7-10H,2H2;1H/q+1;;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride?
2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride has a molecular weight of 289.76 g/mol, XLogP of -6.05, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;2,3,4,5-tetrahydroxypentanal;chloride is sourced from PubChem (CID 138673415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).