(2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde

C24H33NO6 — CID 134922894

IUPAC(2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde
SMILESCO[C@H]1CN([C@@H](C=O)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C24H33NO6/c1-23(2)28-15-20(29-23)22-21(30-24(3,4)31-22)18(14-26)25-13-19(27-5)17(25)12-11-16-9-7-6-8-10-16/h6-12,14,17-22H,13,15H2,1-5H3/b12-11+/t17-,18-,19-,20-,21-,22+/m0/s1
InChIKeyWAHOIGOXVYLNCX-PWMMMKRESA-N
MW431.53 g/mol
LogP2.64
Rot. Bonds7

About (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde

(2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde (PubChem CID 134922894) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde
PubChem CID134922894
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC Name(2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde
SMILESCO[C@H]1CN([C@@H](C=O)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C24H33NO6/c1-23(2)28-15-20(29-23)22-21(30-24(3,4)31-22)18(14-26)25-13-19(27-5)17(25)12-11-16-9-7-6-8-10-16/h6-12,14,17-22H,13,15H2,1-5H3/b12-11+/t17-,18-,19-,20-,21-,22+/m0/s1
InChIKeyWAHOIGOXVYLNCX-PWMMMKRESA-N
XLogP2.64
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde with MolForge

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Related Compounds

(2S)-2-(dibenzylamino)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10503210
(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde
CID 11826409
(2S)-2-(dibenzylamino)-2-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 102121518
(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3S,4S)-3-ethyl-2-oxo-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-1-yl]acetaldehyde
CID 177618606

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde?
The IUPAC name of (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde (CID 134922894) is (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde?
The canonical SMILES for (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde is CO[C@H]1CN([C@@H](C=O)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde?
The InChIKey is WAHOIGOXVYLNCX-PWMMMKRESA-N. The full InChI is InChI=1S/C24H33NO6/c1-23(2)28-15-20(29-23)22-21(30-24(3,4)31-22)18(14-26)25-13-19(27-5)17(25)12-11-16-9-7-6-8-10-16/h6-12,14,17-22H,13,15H2,1-5H3/b12-11+/t17-,18-,19-,20-,21-,22+/m0/s1.
What are the key properties of (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde?
(2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde has a molecular weight of 431.53 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde is sourced from PubChem (CID 134922894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).