(4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde

C19H25NO6 — CID 66559965

IUPAC(4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@H]([C@@H](OCc2ccccc2)C(=O)N2CCOCC2)[C@@H](C=O)O1
InChIInChI=1S/C19H25NO6/c1-19(2)25-15(12-21)16(26-19)17(18(22)20-8-10-23-11-9-20)24-13-14-6-4-3-5-7-14/h3-7,12,15-17H,8-11,13H2,1-2H3/t15-,16+,17-/m1/s1
InChIKeyZTRYKFGNUDICNL-IXDOHACOSA-N
MW363.41 g/mol
LogP1.15
Rot. Bonds6

About (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde

(4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde (PubChem CID 66559965) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde
PubChem CID66559965
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name(4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@H]([C@@H](OCc2ccccc2)C(=O)N2CCOCC2)[C@@H](C=O)O1
InChIInChI=1S/C19H25NO6/c1-19(2)25-15(12-21)16(26-19)17(18(22)20-8-10-23-11-9-20)24-13-14-6-4-3-5-7-14/h3-7,12,15-17H,8-11,13H2,1-2H3/t15-,16+,17-/m1/s1
InChIKeyZTRYKFGNUDICNL-IXDOHACOSA-N
XLogP1.15
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde (CID 66559965) is (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde is CC1(C)O[C@H]([C@@H](OCc2ccccc2)C(=O)N2CCOCC2)[C@@H](C=O)O1.
What is the InChIKey of (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde?
The InChIKey is ZTRYKFGNUDICNL-IXDOHACOSA-N. The full InChI is InChI=1S/C19H25NO6/c1-19(2)25-15(12-21)16(26-19)17(18(22)20-8-10-23-11-9-20)24-13-14-6-4-3-5-7-14/h3-7,12,15-17H,8-11,13H2,1-2H3/t15-,16+,17-/m1/s1.
What are the key properties of (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde?
(4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde has a molecular weight of 363.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2-dimethyl-5-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 66559965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).