(2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal

C8H16O6 — CID 21043551

IUPAC(2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal
SMILESCOCCO[C@@H](C=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16O6/c1-13-2-3-14-7(5-10)8(12)6(11)4-9/h5-9,11-12H,2-4H2,1H3/t6-,7+,8-/m1/s1
InChIKeyWYGGONZRIKQSRE-GJMOJQLCSA-N
MW208.21 g/mol
LogP-2.07
Rot. Bonds8

About (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal

(2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal (PubChem CID 21043551) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal.

Molecular Properties

Compound Name(2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal
PubChem CID21043551
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal
SMILESCOCCO[C@@H](C=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16O6/c1-13-2-3-14-7(5-10)8(12)6(11)4-9/h5-9,11-12H,2-4H2,1H3/t6-,7+,8-/m1/s1
InChIKeyWYGGONZRIKQSRE-GJMOJQLCSA-N
XLogP-2.07
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal?
The IUPAC name of (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal (CID 21043551) is (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal.
What is the SMILES notation for (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal?
The canonical SMILES for (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal is COCCO[C@@H](C=O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal?
The InChIKey is WYGGONZRIKQSRE-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16O6/c1-13-2-3-14-7(5-10)8(12)6(11)4-9/h5-9,11-12H,2-4H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal?
(2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal has a molecular weight of 208.21 g/mol, XLogP of -2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3,4,5-trihydroxy-2-(2-methoxyethoxy)pentanal is sourced from PubChem (CID 21043551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).