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Boc-D-aspartinol 4-Benzyl Ester - ≥95%, high purity , CAS No.182748-72-7

COA

Grade & Purity:

≥95%

Cas Number: 182748-72-7
Molecular Weight: 309.36
PubChem CID: 11045079

In stock

Item Number

B691887

Grouped product items
SKU	Size	Availability	Price	Qty
B691887-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$94.90
B691887-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$253.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Fatty acid esters Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Fatty acid ester - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	benzyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
INCHI	InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-13(10-18)9-14(19)21-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKey	XEGSFNZVTUGZCK-CYBMUJFWSA-N
Smiles	CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)CO
Isomeric SMILES	CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)CO
PubChem CID	11045079
Molecular Weight	309.36

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	309.360 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	309.158 Da
Monoisotopic Mass	309.158 Da
Topological Polar Surface Area	84.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	358.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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