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D-Serine,O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- (128107-47-1)

Identification
Name:D-Serine,O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
Synonyms:Fmoc-D-Ser(Tbu)-Oh;N-(9-fluorenylmethoxycarbonyl)-O-tert-butyl-D-serine;
CAS:128107-47-1
Molecular Formula: C22H25NO5
Molecular Weight: 383.44
InChI: InChI=1/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
Molecular Structure: (C22H25NO5) Fmoc-D-Ser(Tbu)-Oh;N-(9-fluorenylmethoxycarbonyl)-O-tert-butyl-D-serine;
Properties
Flash Point: 303.7°C
Boiling Point: 578.6°C at 760 mmHg
Density:1.216g/cm3
Refractive index:1.575
Specification:

The D-Serine,O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, with CAS registry number 128107-47-1, belongs to the following product categories: (1)Amino Acids; (2)Serine [Ser, S]; (3)Fmoc-Amino Acids and Derivatives; (4)Fmoc-Amino acid series. It has the systematic name of O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-serine. This chemical should be stored at the temperature of 2-8°C. When use this chemical, please avoid contact with skin and eyes and do not breathe dust.

Physical properties of D-Serine,O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-: (1)ACD/LogP: 5.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 16.97; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.42; (8)ACD/KOC (pH 7.4): 3.17; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 104.15 cm3; (15)Molar Volume: 315.1 cm3; (16)Polarizability: 41.29×10-24cm3; (17)Surface Tension: 49.5 dyne/cm; (18)Enthalpy of Vaporization: 91.08 kJ/mol; (19)Vapour Pressure: 3.16E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)COC(C)(C)C
(2)InChI: InChI=1/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
(3)InChIKey: REITVGIIZHFVGU-LJQANCHMBP
(4)Std. InChI: InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
(5)Std. InChIKey: REITVGIIZHFVGU-LJQANCHMSA-N

Flash Point: 303.7°C
Storage Temperature: 2-8°C
Safety Data
 

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