Cbz-D-aspartic acid 4-tert-butyl ester hydrate supplier

Name
Z-D-ASP(OTBU)-OH H2O
EINECS
CAS No. 71449-08-6
Density
Solubility
Melting Point 56.5-57.1 °C
Formula C₁₆H₂₁NO₆^.H₂O
Boiling Point 575.1 °C at 760 mmHg
Molecular Weight 323.346
Flash Point 301.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms Cbz-D-aspartic acid 4-tert-butyl ester hydrate;(R)-2-(Benzyloxycarbonylamino)-4-tert-butoxy-4-oxobutanoic acid hydrate;N-Benzyloxycarbonyl-D-aspartic acid 4-tert-butyl ester hydrate;
PSA 111.16000
LogP 2.42440

Cbz-D-aspartic acid 4-tert-butyl ester hydrate Specification

The CAS register number of Cbz-D-aspartic acid 4-tert-butyl ester hydrate is 71449-08-6. It also can be called as D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, hydrate (1:1) and the systematic name about this chemical is (2R)-2-benzyloxycarbonylamino-4-tert-butoxy-4-oxo-butanoic acid hydrate. The molecular formula about this chemical is C₁₆H₂₁NO₆^.H₂O and the molecular weight is 341.36. It belongs to the following product categories, such as Z-Amino Acids and Derivatives; Z-Amino acid series and so on.

Physical properties about Cbz-D-aspartic acid 4-tert-butyl ester hydrate are: (1)ACD/LogP: 1.95; (2)#H bond acceptors: 8; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 9; (5)Polar Surface Area: 111.16Å²; (6)Flash Point: 301.6 °C; (7)Enthalpy of Vaporization: 90.62 kJ/mol; (8)Boiling Point: 575.1 °C at 760 mmHg; (9)Vapour Pressure: 4.57E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(O)=O.O
(2)InChI: InChI=1/C16H21NO6.H2O/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);1H2/t12-;/m1./s1
(3)InChIKey: UWDOQNWFLPMMLQ-UTONKHPSBU
(4)Std. InChI: InChI=1S/C16H21NO6.H2O/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);1H2/t12-;/m1./s1
(5)Std. InChIKey: UWDOQNWFLPMMLQ-UTONKHPSSA-N

Product Name

Z-D-ASP(OTBU)-OH H2O

Cbz-D-aspartic acid 4-tert-butyl ester hydrate Specification

Related Products

Hot Products