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| CAS No.: | 138774-93-3 |
|---|---|
| Name: | Fmoc-D-1-Naphthylalanine |
| Molecular Structure: | |
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| Formula: | C28H23NO4 |
| Molecular Weight: | 437.495 |
| Synonyms: | 1-Naphthalenepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(R)-;Fmoc-D-1-Nal-OH;Fmoc-3-(1-naphthyl)-D-alanine; |
| Density: | 1.296 g/cm3 |
| Boiling Point: | 690.7 °C at 760 mmHg |
| Flash Point: | 371.6 °C |
| Hazard Symbols: |
 Xi
|
| Safety: | 22-24/25 |
| PSA: | 75.63000 |
| LogP: | 5.76510 |
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Specification
The IUPAC name of Fmoc-D-1-Naphthylalanine is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-ylpropanoic acid. With the CAS registry number 138774-93-3, it is also named as Fmoc-3-(1-naphthyl)-D-alanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Amino Acid Derivatives; Alanine [Ala, A]; Unusual Amino Acids; Fmoc-Amino Acid Series; Peptide; A-Amino. In addition, its molecular formula is C28H23NO4 and its molecular weight is 437.49. This chemical is white powder which should be stored in sealed place 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-D-1-Naphthylalanine can be summarized as: (1)ACD/LogP: 6.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 466.47; (6)ACD/BCF (pH 7.4): 17.35; (7)ACD/KOC (pH 5.5): 695.6; (8)ACD/KOC (pH 7.4): 25.87; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 126.24 cm3; (15)Molar Volume: 337.5 cm3; (16)Polarizability: 50.04×10-24cm3; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.296 g/cm3; (19)Flash Point: 371.6 °C; (20)Enthalpy of Vaporization: 106.31 kJ/mol; (21)Boiling Point: 690.7 °C at 760 mmHg; (22)Vapour Pressure: 4.95E-20 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)Cc5c4ccccc4ccc5
(2)InChI:InChI=1/C28H23NO4/c30-27(31)26(16-19-10-7-9-18-8-1-2-11-20(18)19)29-28(32)33-17-25-23-14-5-3-12-21(23)22-13-4-6-15-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m0/s1
(3)InChIKey:ORWNVJDLEMVDLV-SANMLTNEBC
(4)Std. InChI:InChI=1S/C28H23NO4/c30-27(31)26(16-19-10-7-9-18-8-1-2-11-20(18)19)29-28(32)33-17-25-23-14-5-3-12-21(23)22-13-4-6-15-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m0/s1
(5)Std. InChIKey:ORWNVJDLEMVDLV-SANMLTNESA-N