(2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid

C10H16O6 — CID 88908738

IUPAC(2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)[C@H]1C[C@@H](C=O)OC(C)(C)O1
InChIInChI=1S/C10H16O6/c1-10(2)15-6(5-11)4-7(16-10)8(14-3)9(12)13/h5-8H,4H2,1-3H3,(H,12,13)/t6-,7+,8+/m0/s1
InChIKeyXEMQAINZGLNASR-XLPZGREQSA-N
MW232.23 g/mol
LogP0.20
Rot. Bonds4

About (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid

(2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid (PubChem CID 88908738) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid
PubChem CID88908738
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)[C@H]1C[C@@H](C=O)OC(C)(C)O1
InChIInChI=1S/C10H16O6/c1-10(2)15-6(5-11)4-7(16-10)8(14-3)9(12)13/h5-8H,4H2,1-3H3,(H,12,13)/t6-,7+,8+/m0/s1
InChIKeyXEMQAINZGLNASR-XLPZGREQSA-N
XLogP0.20
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid?
The IUPAC name of (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid (CID 88908738) is (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid.
What is the SMILES notation for (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid?
The canonical SMILES for (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid is CO[C@@H](C(=O)O)[C@H]1C[C@@H](C=O)OC(C)(C)O1.
What is the InChIKey of (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid?
The InChIKey is XEMQAINZGLNASR-XLPZGREQSA-N. The full InChI is InChI=1S/C10H16O6/c1-10(2)15-6(5-11)4-7(16-10)8(14-3)9(12)13/h5-8H,4H2,1-3H3,(H,12,13)/t6-,7+,8+/m0/s1.
What are the key properties of (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid?
(2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid has a molecular weight of 232.23 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetic acid is sourced from PubChem (CID 88908738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).