(S)-2-FMOC-AMINO-OCTANEDIOIC ACID 8-TERT-BUTYL ESTER

The CAS register number of (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-8-tert-butoxy-8-oxooctanoic acid is 276869-41-1. It also can be called as (S)-Fmoc-2-amino-octanedioc acid-8-tert-butyl ester and the systematic name about this chemical is (2S)-8-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxo-octanoic acid. The molecular formula about this chemical is C₂₇H₃₃NO₆ and the molecular weight is 467.55.

Physical properties about (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-8-tert-butoxy-8-oxooctanoic acid are: (1)ACD/LogP: 5.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.797; (4)ACD/LogD (pH 7.4): 2.273; (5)ACD/BCF (pH 5.5): 150.649; (6)ACD/BCF (pH 7.4): 4.505; (7)ACD/KOC (pH 5.5): 342.598; (8)ACD/KOC (pH 7.4): 10.245; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 101.93 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 127.35 cm³; (15)Molar Volume: 394.816 cm³; (16)Polarizability: 50.486x10^-24cm³; (17)Surface Tension: 48.144 dyne/cm; (18)Density: 1.184 g/cm³; (19)Flash Point: 337.104 °C; (20)Enthalpy of Vaporization: 98.469 kJ/mol; (21)Boiling Point: 633.79 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)CCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2)InChI: InChI=1/C27H33NO6/c1-27(2,3)34-24(29)16-6-4-5-15-23(25(30)31)28-26(32)33-17-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22-23H,4-6,15-17H2,1-3H3,(H,28,32)(H,30,31)/t23-/m0/s1
(3)InChIKey: ULPCAXORIFXUMN-QHCPKHFHBW
(4)Std. InChI: InChI=1S/C27H33NO6/c1-27(2,3)34-24(29)16-6-4-5-15-23(25(30)31)28-26(32)33-17-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22-23H,4-6,15-17H2,1-3H3,(H,28,32)(H,30,31)/t23-/m0/s1
(5)Std. InChIKey: ULPCAXORIFXUMN-QHCPKHFHSA-N