3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal

C10H20O8 — CID 174981520

IUPAC3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal
SMILESCCOC(O)(C(O)(C=O)OC)C(O)(OC)C(C)O
InChIInChI=1S/C10H20O8/c1-5-18-10(15,8(13,6-11)16-3)9(14,17-4)7(2)12/h6-7,12-15H,5H2,1-4H3
InChIKeyZUSXURJSTLZLNY-UHFFFAOYSA-N
MW268.26 g/mol
LogP-2.04
Rot. Bonds8

About 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal

3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal (PubChem CID 174981520) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal.

Molecular Properties

Compound Name3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal
PubChem CID174981520
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal
SMILESCCOC(O)(C(O)(C=O)OC)C(O)(OC)C(C)O
InChIInChI=1S/C10H20O8/c1-5-18-10(15,8(13,6-11)16-3)9(14,17-4)7(2)12/h6-7,12-15H,5H2,1-4H3
InChIKeyZUSXURJSTLZLNY-UHFFFAOYSA-N
XLogP-2.04
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1-triethoxypropan-2-ol
CID 87156976
2,2-diethoxy-2-methoxyacetonitrile
CID 173433475
2,3,4,5-tetrahydroxy-3,4,5-trimethoxyhexanal
CID 146657328
(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-3,4,5-trimethoxyhexanal
CID 140905083
ethyl 3-hydroxy-2,2-dimethoxybutanoate
CID 88708132
2,2-di(propan-2-yl)pentanal
CID 90416736
2,3,4-trihydroxy-2-(hydroxymethyl)pentanal
CID 130036048
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
2-ethoxy-2-hydroxypropanediamide
CID 45122517
(2R,3S,4R,5R)-2-acetyl-2,3,5-trihydroxy-4-methoxyhexanal
CID 123227278
(3-ethoxy-3-methoxypentan-2-yl) acetate
CID 157372291
[(2R,3R,4R)-1,2,3,4-tetrahydroxy-3-methoxy-5-oxopentan-2-yl] acetate
CID 21054043

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal?
The IUPAC name of 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal (CID 174981520) is 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal.
What is the SMILES notation for 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal?
The canonical SMILES for 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal is CCOC(O)(C(O)(C=O)OC)C(O)(OC)C(C)O.
What is the InChIKey of 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal?
The InChIKey is ZUSXURJSTLZLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O8/c1-5-18-10(15,8(13,6-11)16-3)9(14,17-4)7(2)12/h6-7,12-15H,5H2,1-4H3.
What are the key properties of 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal?
3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal has a molecular weight of 268.26 g/mol, XLogP of -2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal is sourced from PubChem (CID 174981520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).