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CAS No.: | 88050-17-3 |
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Name: | Fmoc-L-hydroxyproline |
Molecular Structure: | |
Formula: | C20H19NO5 |
Molecular Weight: | 353.375 |
Synonyms: | 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(9H-fluoren-9-ylmethyl) ester, (2S-trans)-;N-Fmoc-trans-4-hydroxy-L-proline; |
EINECS: | 1533716-785-6 |
Density: | 1.407 g/cm3 |
Melting Point: | 189-193 °C |
Boiling Point: | 595.5 °C at 760 mmHg |
Flash Point: | 314 °C |
Appearance: | White to off-white crystalline powder |
Safety: | 22-24/25 |
PSA: | 87.07000 |
LogP: | 2.39320 |
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The IUPAC name of Fmoc-L-hydroxyproline is (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid. With the CAS registry number 88050-17-3, it is also named as N-Fmoc-trans-4-hydroxy-L-proline. The product's categories are Heterocyclic Compounds; Amino Acids; Hydroxyproline [Hyp]; Unusual Amino Acids; Fmoc-Amino Acid Series. In addition, its molecular formula is C20H19NO5 and its molecular weight is 353.37. This chemical should be stored at 2-8 °C. Besides, 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-L-hydroxyproline can be summarized as: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 92.46 cm3; (15)Molar Volume: 250.9 cm3; (16)Polarizability: 36.65×10-24cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.407 g/cm3; (19)Flash Point: 314 °C; (20)Melting Point: 189-193 °C; (21)Enthalpy of Vaporization: 93.32 kJ/mol; (22)Boiling Point: 595.5 °C at 760 mmHg; (23)Vapour Pressure: 4.98E-15 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4[C@H](C(=O)O)C[C@@H](O)C4
(2)InChI: InChI=1/C20H19NO5/c22-12-9-18(19(23)24)21(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18,22H,9-11H2,(H,23,24)/t12-,18+/m1/s1
(3)InChIKey: GOUUPUICWUFXPM-XIKOKIGWBX
(4)Std. InChI: InChI=1S/C20H19NO5/c22-12-9-18(19(23)24)21(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18,22H,9-11H2,(H,23,24)/t12-,18+/m1/s1
(5)Std. InChIKey: GOUUPUICWUFXPM-XIKOKIGWSA-N