Fmoc-D-Aspartic acid 1-tert-butyl ester supplier

Name
FMOC-D-ASP-OTBU
EINECS
CAS No. 134098-70-7
Article Data7
CAS DataBase
Density 1.251g/cm³
Solubility
Melting Point 90-98°C
Formula C₂₃H₂₅NO₆
Boiling Point 617.402 °C at 760 mmHg
Molecular Weight 411.455
Flash Point 327.193 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3R)-4-tert-butoxy-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid (non-preferred name);D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester;fmoc-d-asp-otbu;
PSA 101.93000
LogP 4.10100

Fmoc-D-Aspartic acid 1-tert-butyl ester Specification

The Fmoc-D-Aspartic acid 1-tert-butyl ester, with the CAS registry number 134098-70-7, has the systematic name of (3R)-4-tert-butoxy-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid (non-preferred name). It is a kind of irritant chemical. And the molecular formula of the chemical is C₂₃H₂₅NO₆.

The characteristics of Fmoc-D-Aspartic acid 1-tert-butyl ester are as followings: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 137; (6)ACD/BCF (pH 7.4): 2.64; (7)ACD/KOC (pH 5.5): 425.18; (8)ACD/KOC (pH 7.4): 8.19; (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)Polarizability: 43.13×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 327.2 °C; (20)Enthalpy of Vaporization: 96.25 kJ/mol; (21)Boiling Point: 617.4 °C at 760 mmHg; (22)Vapour Pressure: 4.21E-16 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CC(=O)O
(2)InChI: InChI=1/C23H25NO6/c1-23(2,3)30-21(27)19(12-20(25)26)24-22(28)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-/m1/s1
(3)InChIKey: VZXQYACYLGRQJU-LJQANCHMBQ

Product Name

FMOC-D-ASP-OTBU

Fmoc-D-Aspartic acid 1-tert-butyl ester Specification

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