D-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]- (136083-57-3)

The systematic name of Fmoc-D-Asp-OH is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartic acid. With the CAS registry number 136083-57-3, it is also named as Fmoc-D-aspartic acid. The product's categories are Aspartic acid [Asp, D]; Amino Acids; Amino Acids (N-Protected); Biochemistry; Fmoc-Amino Acids. In addition, its molecular formula is C₁₉H₁₇NO₆ and its molecular weight is 355.34. This chemical should be stored at RT.

The other characteristics of Fmoc-D-Asp-OH can be summarized as: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): -1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.66; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 7; (10)H bond donors: 3; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 82.14 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 90.11 cm³; (15)Molar Volume: 253.8 cm³; (16)Polarizability: 35.72×10^-24cm³; (17)Surface Tension: 66 dyne/cm; (18)Density: 1.399 g/cm³; (19)Flash Point: 308.9 °C; (20)Enthalpy of Vaporization: 92.22 kJ/mol; (21)Boiling Point: 587.2 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)C[C@H](C(=O)O)NC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI:InChI=1/C19H17NO6/c21-17(22)9-16(18(23)24)20-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,25)(H,21,22)(H,23,24)/t16-/m1/s1
(3)InChIKey:KSDTXRUIZMTBNV-MRXNPFEDBT
(4)Std. InChI:InChI=1S/C19H17NO6/c21-17(22)9-16(18(23)24)20-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,25)(H,21,22)(H,23,24)/t16-/m1/s1
(5)Std. InChIKey:KSDTXRUIZMTBNV-MRXNPFEDSA-N