(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde

C19H20O4 — CID 25208780

IUPAC(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
SMILESO=C[C@@H]1OC[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C19H20O4/c20-11-17-19(23-13-16-9-5-2-6-10-16)18(14-22-17)21-12-15-7-3-1-4-8-15/h1-11,17-19H,12-14H2/t17-,18-,19-/m0/s1
InChIKeyGFBMZPKFVWCXIA-FHWLQOOXSA-N
MW312.37 g/mol
LogP2.75
Rot. Bonds7

About (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde

(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde (PubChem CID 25208780) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
PubChem CID25208780
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
SMILESO=C[C@@H]1OC[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C19H20O4/c20-11-17-19(23-13-16-9-5-2-6-10-16)18(14-22-17)21-12-15-7-3-1-4-8-15/h1-11,17-19H,12-14H2/t17-,18-,19-/m0/s1
InChIKeyGFBMZPKFVWCXIA-FHWLQOOXSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102422537
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
(2S,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 10788908
(2R,3S,4R,5S)-5-deuterio-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 10598895
(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine
CID 71524271
(1S,4R,5R,6R)-7,7-dichloro-4,5-bis(phenylmethoxy)-2-oxabicyclo[4.1.0]heptane
CID 10595861
3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 167068650

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde?
The IUPAC name of (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde (CID 25208780) is (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde.
What is the SMILES notation for (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde?
The canonical SMILES for (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde is O=C[C@@H]1OC[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde?
The InChIKey is GFBMZPKFVWCXIA-FHWLQOOXSA-N. The full InChI is InChI=1S/C19H20O4/c20-11-17-19(23-13-16-9-5-2-6-10-16)18(14-22-17)21-12-15-7-3-1-4-8-15/h1-11,17-19H,12-14H2/t17-,18-,19-/m0/s1.
What are the key properties of (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde?
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde has a molecular weight of 312.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde is sourced from PubChem (CID 25208780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).