D-Alanine,L-alanyl-L-alanyl- supplier

Name
H-ALA-ALA-D-ALA-OH
EINECS
CAS No. 6745-19-3
Density 1.227 g/cm³
Solubility
Melting Point
Formula C₉H₁₇N₃O₄
Boiling Point 566.5 °C at 760 mmHg
Molecular Weight 231.252
Flash Point 296.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-(N-L-alanyl-L-alanyl)-, D- (8CI);L-Ala-L-Ala-D-Ala;D-Alanine, N-(N-L-alanyl-L-alanyl)-;L-Alanyl-L-alanyl-D-alanine;
PSA 121.52000
LogP -0.09030

D-Alanine,L-alanyl-L-alanyl- Specification

The D-Alanine,L-alanyl-L-alanyl-, with the CAS registry number 6745-19-3, is also known as (S)-2-[(S)-2-((S)-2-Amino-propionylamino)-propionylamino]-propionic acid. This chemical's molecular formula is C₉H₁₇N₃O₄ and molecular weight is 231.249. Its systematic name is called L-alanyl-L-alanyl-L-alanine. This chemical should be stored at -15°C.

Physical properties of D-Alanine,L-alanyl-L-alanyl-: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.5; (4)ACD/LogD (pH 7.4): -3.66; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 55.96 cm³; (14)Molar Volume: 188.4 cm³; (15)Surface Tension: 49.3 dyne/cm; (16)Density: 1.227 g/cm³; (17)Flash Point: 296.4 °C; (18)Enthalpy of Vaporization: 92.97 kJ/mol; (19)Boiling Point: 566.5 °C at 760 mmHg; (20)Vapour Pressure: 2.58E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)C)[C@@H](NC(=O)[C@@H](N)C)C
(2)InChI: InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1
(3)InChIKey: BYXHQQCXAJARLQ-ZLUOBGJFBQ

Product Name

H-ALA-ALA-D-ALA-OH

D-Alanine,L-alanyl-L-alanyl- Specification

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