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20556-14-3

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Basic Information
CAS No.: 20556-14-3
Name: H-VAL-ILE-OH
Article Data: 4
Molecular Structure:
Molecular Structure of 20556-14-3 (H-VAL-ILE-OH)
Formula: C11H22N2O3
Molecular Weight: 230.307
Synonyms: Isoleucine,N-L-valyl-, L- (8CI);L-Isoleucine, N-L-valyl-;46: PN: WO2005081628 SEQID:1046 claimed protein;576: PN: EP2071334 SEQID: 615 claimed protein;576: PN:WO2009077864 SEQID: 615 claimed protein;L-Valyl-L-isoleucine;
Density: 1.066 g/cm3
Boiling Point: 421.9 °C at 760 mmHg
Flash Point: 209 °C
PSA: 92.42000
LogP: 1.67640
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Specification

The CAS register number of L-Isoleucine, L-valyl- is 20556-14-3. It also can be called as L-Valyl-L-isoleucine and the systematic name about this chemical is (2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid. The molecular formula about this chemical is C11H22N2O3 and the molecular weight is 230.3.

Physical properties about L-Isoleucine, L-valyl- are: (1)ACD/LogP: 1.13; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 92.42Å2; (10)Index of Refraction: 1.482; (11)Molar Refractivity: 61.56 cm3; (12)Molar Volume: 215.8 cm3; (13)Polarizability: 24.4x10-24cm3; (14)Surface Tension: 40 dyne/cm; (15)Flash Point: 209 °C; (16)Enthalpy of Vaporization: 74.15 kJ/mol; (17)Boiling Point: 421.9 °C at 760 mmHg; (18)Vapour Pressure: 2.66E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(C)[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N
(2)InChI: InChI=1/C11H22N2O3/c1-5-7(4)9(11(15)16)13-10(14)8(12)6(2)3/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t7?,8-,9-/m0/s1
(3)InChIKey: PNVLWFYAPWAQMU-NPPUSCPJBB
(4)Std. InChI: InChI=1S/C11H22N2O3/c1-5-7(4)9(11(15)16)13-10(14)8(12)6(2)3/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t7?,8-,9-/m0/s1
(5)Std. InChIKey: PNVLWFYAPWAQMU-NPPUSCPJSA-N