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160955-40-8
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Basic Information
CAS No.: 160955-40-8
Name: D-Tryptophan,N-(carboxymethyl)-
Molecular Structure:
Molecular Structure of 160955-40-8 (D-Tryptophan,N-(carboxymethyl)-)
Formula: C13H14N2O4
Molecular Weight: 262.2613
Synonyms: Konbamidin;
Density: 1.436 g/cm3
Boiling Point: 565.413 °C at 760 mmHg
Flash Point: 295.751 °C
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Specification

The CAS registry number of D-Tryptophan,N-(carboxymethyl)- is 160955-40-8. This chemical is also named as Konbamidin. In addition, its molecular formula is C13H14N2O4 and molecular weight is 262.2613. Its systematic name is called N-(carboxymethyl)-D-tryptophan.

Physical properties about D-Tryptophan,N-(carboxymethyl)- are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.675; (13)Molar Refractivity: 68.659 cm3; (14)Molar Volume: 182.653 cm3; (15)Surface Tension: 73.932 dyne/cm; (16)Density: 1.436 g/cm3; (17)Flash Point: 295.751 °C; (18)Enthalpy of Vaporization: 89.35 kJ/mol; (19)Boiling Point: 565.413 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](NCC(=O)O)Cc2c1ccccc1nc2
(2)InChI: InChI=1/C13H14N2O4/c16-12(17)7-15-11(13(18)19)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,6,11,14-15H,5,7H2,(H,16,17)(H,18,19)/t11-/m1/s1
(3)InChIKey: FRPVVBUDVXSUGF-LLVKDONJBK