N-Boc-L-Aspartic acid 1-(9H-fluoren-9-ylmethyl) ester supplier

Name
BOC-ASP-OFM
EINECS
CAS No. 129046-87-3
Density 1.251 g/cm³
Solubility
Melting Point 138-142 °C
Formula C₂₃H₂₅NO₆
Boiling Point 617.4 °C at 760 mmHg
Molecular Weight 411.455
Flash Point 327.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(9H-Fluoren-9-ylmethyl) N-((1,1-dimethylethoxy)carbonyl)-L-aspartate;
PSA 101.93000
LogP 4.10100

N-Boc-L-Aspartic acid 1-(9H-fluoren-9-ylmethyl) ester Specification

The L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1-(9H-fluoren-9-ylmethyl) ester, with the CAS registry number of 129046-87-3, is also known as 1-(9H-Fluoren-9-ylmethyl) N-((1,1-dimethylethoxy)carbonyl)-L-aspartate. Its molecular formula is C₂₃H₂₅NO₆ and molecular weight is 411.45. What's more, its IUPAC name is (3S)-4-(9H-Fluoren-9-ylmethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid.

Physical properties about the L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1-(9H-fluoren-9-ylmethyl) ester are: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 111.85; (6)ACD/BCF (pH 7.4): 2.31; (7)ACD/KOC (pH 5.5): 347.12; (8)ACD/KOC (pH 7.4): 7.16; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 82.14 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 108.81 cm³; (15)Molar Volume: 328.7 cm³; (16)Surface Tension: 51.5 dyne/cm; (17)Density: 1.251 g/cm³; (18)Flash Point: 327.2 °C; (19)Enthalpy of Vaporization: 96.25 kJ/mol; (20)Boiling Point: 617.4 °C at 760 mmHg; (21)Vapour Pressure: 4.21E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OCC3c1ccccc1c2c3cccc2)CC(=O)O
(2) InChI: InChI=1/C23H25NO6/c1-23(2,3)30-22(28)24-19(12-20(25)26)21(27)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,26)/t19-/m0/s1
(3) InChIKey: RMRKPGGMJKNMSK-IBGZPJMEBZ

Product Name

BOC-ASP-OFM

N-Boc-L-Aspartic acid 1-(9H-fluoren-9-ylmethyl) ester Specification

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