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252049-02-8

Basic Information
CAS No.: 252049-02-8
Name: Fmoc-D-Threoninol
Molecular Structure:
Molecular Structure of 252049-02-8 (Fmoc-D-Threoninol)
Formula: C19H21NO4
Molecular Weight: 327.38
Synonyms: (9H-fluoren-9-yl)methyl (2S,3S)-1,3-dihydroxybutan-2-ylcarbamate;REF DUPL: Fmoc-D-Threoninol
Density: 1.259 g/cm3
Boiling Point: 586.5 °C at 760 mmHg
Flash Point: 308.5 °C
PSA: 82.28000
LogP: 2.47120
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  • FMOC-D-THREONINOL  CAS NO.252049-02-8

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Specification

The Carbamic acid,[(1R,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI) is an organic compound with the formula C19H21NO4. The systematic name of this chemical is 9H-fluoren-9-ylmethyl [(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]carbamate. With the CAS registry number 252049-02-8, it is also named as fmoc-d-Threoninol.

Physical properties about Carbamic acid,[(1R,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI) are: (1)ACD/LogP: 3.09 ; (2)ACD/LogD (pH 5.5): 3.09; (3)ACD/LogD (pH 7.4): 3.09; (4)ACD/BCF (pH 5.5): 131.06; (5)ACD/BCF (pH 7.4): 131.03; (6)ACD/KOC (pH 5.5): 1141.04; (7)ACD/KOC (pH 7.4): 1140.74; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 48 Å2; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 90.01 cm3; (14)Molar Volume: 259.9 cm3; (15)Polarizability: 35.68×10-24cm3; (16)Surface Tension: 55.9 dyne/cm; (17)Density: 1.259 g/cm3; (18)Flash Point: 308.5 °C; (19)Enthalpy of Vaporization: 92.12 kJ/mol; (20)Boiling Point: 586.5 °C at 760 mmHg; (21)Vapour Pressure: 1.35E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2c3cccc2)N[C@H]([C@@H](O)C)CO
(2)InChI: InChI=1/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18-/m0/s1
(3)InChIKey: YOKDHMTZJSRRIQ-SGTLLEGYBE
(4)Std. InChI: InChI=1S/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18-/m0/s1
(5)Std. InChIKey: YOKDHMTZJSRRIQ-SGTLLEGYSA-N