1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4R)- supplier

Name
FMOC-TRANS-4-FLUORO-PRO-OH
EINECS
CAS No. 203866-20-0
Article Data3
CAS DataBase
Density 1.403 g/cm³
Solubility
Melting Point
Formula C₂₀H₁₈FNO₄
Boiling Point 556.024 °C at 760 mmHg
Molecular Weight 355.366
Flash Point 290.073 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S-trans)-;(4R)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-fluoro-L-proline;trans-4-Fluoro-L-proline, N-FMOC protected;(2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid, N-FMOC protected;
PSA 66.84000
LogP 3.37040

1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4R)- Specification

The CAS register number of 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4R)- is 203866-20-0. It also can be called as (2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid, N-FMOC protected and the systematic name about this chemical is (4R)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-fluoro-L-proline. The molecular formula about this chemical is C₂₀H₁₈FNO₄ and the molecular weight is 355.36.

Physical properties about 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4R)- are: (1)ACD/LogP: 3.97; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.84 Å²; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 91.854 cm³; (14)Molar Volume: 253.212 cm³; (15)Polarizability: 36.414x10^-24cm³; (16)Surface Tension: 62.692 dyne/cm; (17)Enthalpy of Vaporization: 88.123 kJ/mol; (18)Boiling Point: 556.024 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: F[C@@H]4C[C@@H](C(=O)O)N(C(=O)OCC3c1ccccc1c2ccccc23)C4
(2)InChI: InChI=1/C20H18FNO4/c21-12-9-18(19(23)24)22(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,23,24)/t12-,18+/m1/s1
(3)InChIKey: CJEQUGHYFSTTQT-XIKOKIGWBZ
(4)Std. InChI: InChI=1S/C20H18FNO4/c21-12-9-18(19(23)24)22(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,23,24)/t12-,18+/m1/s1
(5)Std. InChIKey: CJEQUGHYFSTTQT-XIKOKIGWSA-N

Product Name

FMOC-TRANS-4-FLUORO-PRO-OH

1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4R)- Specification

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