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Name |
D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-iodo- |
EINECS | N/A |
CAS No. | 205526-29-0 | Density | 1.577g/cm3 |
PSA | 75.63000 | LogP | 5.21650 |
Solubility | Sparingly Soluble in water (6.7E-4 g/L) (25°C). | Melting Point |
N/A |
Formula | C24H20INO4 | Boiling Point | 658.8 °C at 760 mmHg |
Molecular Weight | 513.332 | Flash Point | 352.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Fmoc-D-Phe(4-I)-OH; |
The D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-iodo-, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Unusual Amino Acids; (4)Fmoc-Amino acid series. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine. This chemical should be stored at the temperature of 2-8°C.
Physical properties of D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-iodo-: (1)ACD/LogP: 6.44; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 303.15; (6)ACD/BCF (pH 7.4): 11.91; (7)ACD/KOC (pH 5.5): 499.07; (8)ACD/KOC (pH 7.4): 19.61; (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: 1.668; (14)Molar Refractivity: 121.3 cm3; (15)Molar Volume: 325.4 cm3; (16)Polarizability: 48.09×10-24cm3; (17)Surface Tension: 61 dyne/cm; (18)Enthalpy of Vaporization: 101.88 kJ/mol; (19)Vapour Pressure: 2.97E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H20INO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(3)InChIKey: LXOXXTQKKRJNNB-JOCHJYFZBD
(4)Std. InChI: InChI=1S/C24H20INO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(5)Std. InChIKey: LXOXXTQKKRJNNB-JOCHJYFZSA-N