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| CAS No.: | 32159-22-1 |
|---|---|
| Name: | pGlu-His-OH |
| Molecular Structure: | |
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| Formula: | C11H14N4O4 |
| Molecular Weight: | 266.2533 |
| Synonyms: | Histidine,N-(5-oxo-L-prolyl)-, L- (8CI);L-Histidine, N-(5-oxo-L-prolyl)-;L-Pyroglutamyl-L-histidine;pGlu-His-OH; |
| Density: | 1.65 g/cm3 |
| PSA: | 124.18000 |
| LogP: | -0.48010 |
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Specification
The CAS register number of L-Histidine,5-oxo-L-prolyl- is 32159-22-1. It also can be called as Pyroglutamylhistidine and the systematic name about this chemical is 5-oxo-L-prolyl-3-(4H-imidazol-4-yl)-L-alanine. The molecular formula about this chemical is C11H14N4O4 and the molecular weight is 266.2533.
Physical properties about L-Histidine,5-oxo-L-prolyl- are: (1)ACD/LogP: -2.40; (2)ACD/LogD (pH 5.5): -4.89; (3)ACD/LogD (pH 7.4): -5.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 91.64Å2; (12)Index of Refraction: 1.724; (13)Molar Refractivity: 63.76 cm3; (14)Molar Volume: 160.6 cm3; (15)Polarizability: 25.27x10-24cm3; (16)Surface Tension: 73.9 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N[C@H](C(=O)N[C@H](C(=O)O)CC/1/N=C\N=C\1)CC2
(2)InChI: InChI=1/C11H14N4O4/c16-9-2-1-7(14-9)10(17)15-8(11(18)19)3-6-4-12-5-13-6/h4-8H,1-3H2,(H,14,16)(H,15,17)(H,18,19)/t6?,7-,8-/m0/s1
(3)InChIKey: DDQCRHMAPMBAFL-ALKRTJFJBQ
(4)Std. InChI: InChI=1S/C11H14N4O4/c16-9-2-1-7(14-9)10(17)15-8(11(18)19)3-6-4-12-5-13-6/h4-8H,1-3H2,(H,14,16)(H,15,17)(H,18,19)/t6?,7-,8-/m0/s1
(5)Std. InChIKey: DDQCRHMAPMBAFL-ALKRTJFJSA-N