CAS No.20727-65-5,H-ALA-ASP-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20727-65-5
Name:	H-ALA-ASP-OH
Article Data:	3

Formula:	C₇H₁₂N₂O₅
Molecular Weight:	204.183
Synonyms:	Asparticacid, N-L-alanyl-, L- (8CI);L-Aspartic acid, N-L-alanyl-;68: PN:US20070066537 PAGE: 17 claimed sequence;H-Ala-Asp-OH;L-Alanyl-L-asparticacid;NSC 186912;
Density:	1.42 g/cm³
Boiling Point:	455.9 °C at 760 mmHg
Flash Point:	229.5 °C
PSA:	129.72000
LogP:	-0.53110

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Specification

The L-Aspartic acid, L-alanyl-, with the CAS registry number of 20727-65-5, is also known as L-Alanyl-L-aspartic acid. This chemical's molecular formula is C₇H₁₂N₂O₅ and molecular weight is 204.18. What's more, its IUPAC name is (2S)-2-[[(2S)-2-Aminopropanoyl]amino]butanedioic acid. Besides, it should be stored at -15 °C.

Physical properties about L-Aspartic acid, L-alanyl- are: (1)ACD/LogP: -1.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.38; (4)ACD/LogD (pH 7.4): -4.71; (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)Polar Surface Area: 76.15 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 44.68 cm³; (15)Molar Volume: 143.7 cm³; (16)Surface Tension: 66.9 dyne/cm; (17)Density: 1.42 g/cm³; (18)Flash Point: 229.5 °C; (19)Enthalpy of Vaporization: 78.45 kJ/mol; (20)Boiling Point: 455.9 °C at 760 mmHg; (21)Vapour Pressure: 1.4E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)O)CC(=O)O)[C@@H](N)C
(2) InChI: InChI=1/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
(3) InChIKey: XAEWTDMGFGHWFK-IMJSIDKUBK