InChI: | InChI=1/C21H23NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)/t19-/m1/s1 |
Specification: |
The IUPAC name of Fmoc-D-Norleucine is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid. With the CAS registry number 112883-41-7, it is also named as Fmoc-D-Nle-OH. In addition, its molecular formula is C21H23NO4 and its molecular weight is 353.41. This chemical is white powder which should be stored in sealed, cool, dry warehouse at 2-8 °C. Moreover, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.
The other characteristics of Fmoc-D-Norleucine can be summarized as: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 49.88; (6)ACD/BCF (pH 7.4): 1.46; (7)ACD/KOC (pH 5.5): 156.79; (8)ACD/KOC (pH 7.4): 4.6; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 97.81 cm3; (15)Molar Volume: 292.2 cm3; (16)Polarizability: 38.77×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 295.9 °C; (20)Enthalpy of Vaporization: 89.37 kJ/mol; (21)Boiling Point: 565.6 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-13 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CCCC
(2)InChI:InChI=1/C21H23NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)/t19-/m1/s1
(3)InChIKey:VCFCFPNRQDANPN-LJQANCHMBA
(4)Std. InChI:InChI=1S/C21H23NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)/t19-/m1/s1
(5)Std. InChIKey:VCFCFPNRQDANPN-LJQANCHMSA-N
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