Fmoc-D-Trp(Boc)-OH supplier | CasNO.163619-04-3

Name
Fmoc-D-Trp(Boc)-OH
EINECS
CAS No. 163619-04-3
Article Data6
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point 86 - 92oC (Decomposes)
Formula C₃₁H₃₀N₂O₆
Boiling Point
Molecular Weight 526.589
Flash Point
Transport Information
Appearance White to off-white crystalline powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 106.86000
LogP 6.34980

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

Product Name

Fmoc-D-Trp(Boc)-OH

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

Fmoc-D-Trp(Boc)-OH Specification

Related Products

Hot Products