2H-Pyrido[3,4-b]indole-2,3-dicarboxylicacid, 1,3,4,9-tetrahydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- (268731-07-3)

The IUPAC name of Fmoc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid is (3R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid. With the CAS registry number 268731-07-3, it is also named as 2H-Pyrido[3,4-b]indole-2,3-dicarboxylicacid, 1,3,4,9-tetrahydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)-. The product's categories are Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Others; Peptide Synthesis; Unnatural Amino Acid Derivatives. In addition, its molecular formula is C₂₇H₂₂N₂O₄ and its molecular weight is 438.47. Besides, this chemical should be stored at -15 °C.

The other characteristics of Fmoc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid can be summarized as: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 63.34; (6)ACD/BCF (pH 7.4): 1.25; (7)ACD/KOC (pH 5.5): 239.62; (8)ACD/KOC (pH 7.4): 4.73; (9)H bond acceptors: 6; (10)H bond donors: 2; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.77 Å²; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 123.13 cm³; (15)Molar Volume: 313.9 cm³; (16)Polarizability: 48.81×10^-24cm³; (17)Surface Tension: 68.6 dyne/cm; (18)Density: 1.396 g/cm³; (19)Flash Point: 378.6 °C; (20)Enthalpy of Vaporization: 107.95 kJ/mol; (21)Boiling Point: 702.4 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-20 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@@H]6N(C(=O)OCC3c1ccccc1c2ccccc23)Cc4c(c5c(n4)cccc5)C6
(2)InChI:InChI=1/C27H22N2O4/c30-26(31)25-13-21-20-11-5-6-12-23(20)28-24(21)14-29(25)27(32)33-15-22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,22,25,28H,13-15H2,(H,30,31)/t25-/m1/s1
(3)InChIKey:IHHULIKSMJSELI-RUZDIDTEBK
(4)Std. InChI:InChI=1S/C27H22N2O4/c30-26(31)25-13-21-20-11-5-6-12-23(20)28-24(21)14-29(25)27(32)33-15-22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,22,25,28H,13-15H2,(H,30,31)/t25-/m1/s1
(5)Std. InChIKey:IHHULIKSMJSELI-RUZDIDTESA-N