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Fmoc-D-Trp(Boc)-OH

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Name

Fmoc-D-Trp(Boc)-OH

EINECS N/A
CAS No. 163619-04-3 Density 1.289 g/cm3
PSA 106.86000 LogP 6.34980
Solubility N/A Melting Point 86 - 92oC (Decomposes)
Formula C31H30N2O6 Boiling Point N/A
Molecular Weight 526.589 Flash Point N/A
Transport Information N/A Appearance White to off-white crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 163619-04-3 (Fmoc-D-Trp(Boc)-OH) Hazard Symbols N/A
Synonyms

N-α-Fmoc-N-in-Boc-D-tryptophan;N-alpha-Fmoc-N(in)-Boc-D-tryptophan;N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-in-tert-butyl-oxycarbonyl-D-tryptophan;

Article Data 6

Fmoc-D-Trp(Boc)-OH Standards and Recommendations

APPEARANCE of Fmoc-D-Trp(Boc)-OH: White to off-white crystalline powder
IDENTIFICATION: pass Test A,B
ASSAY: 97.5% min
OPTICAL ROTATION: +17° ~ +21° (C=1 in DMF)
RELATED SUBSTANCE: pass
LOSS ON DRYING: 0.5% max

Fmoc-D-Trp(Boc)-OH Specification

The IUPAC name of Fmoc-D-Trp(Boc)-OH is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid. With the CAS registry number 163619-04-3, it is also named as N-alpha-Fmoc-N(in)-Boc-D-tryptophan. The product's categories are Amino Acids; Tryptophan [Trp, W]; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. Besides, it should be stored at 2-8 °C. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C31H30N2O6 and molecular weight is 526.58.

The other characteristics of Fmoc-D-Trp(Boc)-OH can be summarized as: (1)ACD/LogP: 6.41; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)XLogP3-AA: 6; (7)Rotatable Bond Count: 9; (8)Tautomer Count: 2; (9)Exact Mass: 526.210387; (10)MonoIsotopic Mass: 526.210387; (11)Topological Polar Surface Area: 107; (12)Complexity: 880; (13)Polar Surface Area: 106.86 Å2; (14)Index of Refraction: 1.632; (15)Molar Refractivity: 145.847 cm3; (16)Molar Volume: 408.659 cm3; (17)Polarizability: 57.818×10-24cm3; (18)Surface Tension: 49.602 dyne/cm; (19)Density: 1.289 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc5c4ccccc4n(c5)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C31H30N2O6/c1-31(2,3)39-30(37)33-17-19(20-10-8-9-15-27(20)33)16-26(28(34)35)32-29(36)38-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,17,25-26H,16,18H2,1-3H3,(H,32,36)(H,34,35)/t26-/m0/s1
(3)InChIKey: ADOHASQZJSJZBT-SANMLTNEBK

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