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111061-55-3

Basic Information
CAS No.: 111061-55-3
Name: FMOC-HOMOSER(TRT)-OH
Article Data: 1
Molecular Structure:
Molecular Structure of 111061-55-3 (FMOC-HOMOSER(TRT)-OH)
Formula: C38H33NO5
Molecular Weight: 583.684
Synonyms: Fmoc-O-trityl-L-homoserine;
Density: 1.242 g/cm3
Melting Point: 108-110 °C
Boiling Point: 767.5 °C at 760 mmHg
Flash Point: 418 °C
Appearance: crystal
PSA: 84.86000
LogP: 7.76800
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  • Fmoc-O-trityl-L-homoserine

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    111061-55-3

    Fmoc-O-trityl-L-homoserine

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  • FMOC-HOMOSER(TRT)-OH

  • Casno:

    111061-55-3

    FMOC-HOMOSER(TRT)-OH

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  • L-Homoserine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-

  • Casno:

    111061-55-3

    L-Homoserine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-

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  • Casno:

    111061-55-3

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  • Casno:

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Specification

The IUPAC name of Fmoc-O-trityl-L-homoserine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-trityloxybutanoic acid. With the CAS registry number 111061-55-3, it is also named as L-homoserine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-. In addition, its molecular formula is C38H33NO5 and its molecular weight is 583.681. This chemical is crystal which should be stored in sealed container in cool and dry place at 2-8 °C. And you should ensure that the workplaces have good ventilation or exhaust device.

The other characteristics of Fmoc-O-trityl-L-homoserine can be summarized as: (1)ACD/LogP: 9.93; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.72; (4)ACD/LogD (pH 7.4): 6.34; (5)ACD/BCF (pH 5.5): 127442.63; (6)ACD/BCF (pH 7.4): 5272.49; (7)ACD/KOC (pH 5.5): 36885.07; (8)ACD/KOC (pH 7.4): 1525.99; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 167.78 cm3; (15)Molar Volume: 469.8 cm3; (16)Polarizability: 66.51×10-24cm3; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 418 °C; (20)Enthalpy of Vaporization: 117.24 kJ/mol; (21)Boiling Point: 767.5 °C at 760 mmHg; (22)Vapour Pressure: 8.97E-25 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)CCOC(c4ccccc4)(c5ccccc5)c6ccccc6
(2)InChI: InChI=1/C38H33NO5/c40-36(41)35(39-37(42)43-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-44-38(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,39,42)(H,40,41)/t35-/m0/s1
(3)InChIKey: QUTREFXHXPNEJN-DHUJRADRBY
(4)Std. InChI: InChI=1S/C38H33NO5/c40-36(41)35(39-37(42)43-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-44-38(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,39,42)(H,40,41)/t35-/m0/s1
(5)Std. InChIKey: QUTREFXHXPNEJN-DHUJRADRSA-N