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Taxol Side Chain β-lactam

CAT: 0013-GTR19153329-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153329-01Size:5 mg
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Description
Taxol Side Chain β-lactam (also known as (3R,4S) -3- (acetyloxy) -2-oxo-4-phenyl-1-azetidinecarboxylic acid 1,1-dimethylethyl ester; CAS number: 161183-22-8) is a compound with a molecular weight of 305.33 Da and a purity of ≥98%.
CAS Number
161183-22-8
Product Name Alternative
(3R,4S) -3- (acetyloxy) -2-oxo-4-phenyl-1-azetidinecarboxylic acid 1,1-dimethylethyl ester
Purity
≥98%
Smiles
CC (=O) OC1C (N (C1=O) C (=O) OC (C) (C) C) C2=CC=CC=C2
Molecular Formula
C16H19NO5
Molecular Weight
305.33
Storage Conditions
Storage Temp: -20°C
Notes
For research use only.
Applications Notes
White to off white powder

Chemical Information

(3R,4S)-Tert-butyl 3-acetoxy-2-oxo-4-phenylazetidine-1-carboxylate
CAS Number161183-22-8
PubChem CID11544021
IUPAC Nametert-butyl (3R,4S)-3-acetyloxy-2-oxo-4-phenylazetidine-1-carboxylate
Molecular FormulaC16H19NO5
Molecular Weight305.32
XLogP2.2
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity462
SMILES
CC(=O)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H19NO5/c1-10(18)21-13-12(11-8-6-5-7-9-11)17(14(13)19)15(20)22-16(2,3)4/h5-9,12-13H,1-4H3/t12-,13+/m0/s1
InChIKey
UXAJYQMKDOKJIF-QWHCGFSZSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S)-Tert-butyl 3-acetoxy-2-oxo-4-phenylazetidine-1-carboxylate
CAS: 161183-22-8
CID: 11544021
Formula: C16H19NO5
MW: 305.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight305.32
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass305.12632271
Monoisotopic Mass305.12632271
Topological Polar Surface Area72.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes