L-Proline,L-valyl-L-prolyl- supplier

Name
H-VAL-PRO-PRO-OH
EINECS
CAS No. 58872-39-2
Density 1.275 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₅N₃O₄
Boiling Point 566.446 °C at 760 mmHg
Molecular Weight 311.38
Flash Point 296.376 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Proline,1-(1-L-valyl-L-prolyl)-;L-Valyl-L-prolyl-L-proline;
PSA 103.94000
LogP 0.61240

L-Proline,L-valyl-L-prolyl- Specification

The L-Proline, L-valyl-L-prolyl-, with the CAS registry number 58872-39-2, is also known as (S)-1-[(S)-1-((S)-2-Amino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carboxylic acid. This chemical's molecular formula is C₁₅H₂₅N₃O₄ and molecular weight is 311.38. What's more, its systematic name is L-Valyl-L-prolyl-L-proline.

Physical properties about L-Proline, L-valyl-L-prolyl- are: (1)ACD/LogP: 0.57; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 103.94 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 79.26 cm³; (15)Molar Volume: 244.308 cm³; (16)Polarizability: 31.421×10^-24 cm³; (17)Surface Tension: 59.533 dyne/cm; (18)Density: 1.275 g/cm³; (19)Flash Point: 296.376 °C; (20)Enthalpy of Vaporization: 92.965 kJ/mol; (21)Boiling Point: 566.446 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]2N(C(=O)[C@H]1N(C(=O)[C@@H](N)C(C)C)CCC1)CCC2
(2) InChI: InChI=1/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1
(3) InChIKey: DOFAQXCYFQKSHT-SRVKXCTJBR

Product Name

H-VAL-PRO-PRO-OH

L-Proline,L-valyl-L-prolyl- Specification

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