-
Name
Z-GLY-PRO-OH
- EINECS 214-598-8
- CAS No. 1160-54-9
- Article Data16
- CAS DataBase
- Density 1.335 g/cm3
- Solubility
- Melting Point 155-158 °C
- Formula C15H18N2O5
- Boiling Point 579.8 °C at 760 mmHg
- Molecular Weight 306.318
- Flash Point 304.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms L-Proline,1-[N-[(phenylmethoxy)carbonyl]glycyl]-;Proline, 1-(N-carboxyglycyl)-, N-benzylester, L- (6CI,7CI,8CI);(Benzyloxycarbonyl)glycyl-L-proline;Carbobenzoxyglycyl-L-proline;NSC 89634;Z-Gly-Pro-OH;
- PSA 95.94000
- LogP 1.31720
L-Proline,N-[(phenylmethoxy)carbonyl]glycyl- Specification
The L-Proline,N-[(phenylmethoxy)carbonyl]glycyl-, with its CAS registry number 1160-54-9, has the IUPAC name of 1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid. And it has the molecular formula of C15H18N2O5 and the molecular weight of 306.31. When store it, it should be kept at -20 °C.
The characteristics of L-Proline,N-[(phenylmethoxy)carbonyl]glycyl- are as follows: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.27; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 76.15 Å2; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 76.44 cm3; (13)Molar Volume: 229.2 cm3; (14)Polarizability: 30.3×10-24cm3; (15)Surface Tension: 60.7 dyne/cm; (16)Density: 1.335 g/cm3; (17)Flash Point: 304.4 °C; (18)Enthalpy of Vaporization: 91.24 kJ/mol; (19)Boiling Point: 579.8 °C at 760 mmHg; (20)Vapour Pressure: 2.77E-14 mmHg at 25°C; (21)Exact Mass: 306.121572; (22)MonoIsotopic Mass: 306.121572; (23)Topological Polar Surface Area: 95.9; (24)Heavy Atom Count: 22; (25)Complexity: 420; (26)Undefined Atom StereoCenter Count: 1; (27)Covalently-Bonded Unit Count: 1; (28)Feature 3D Acceptor Count: 4; (29)Feature 3D Donor Count: 1; (30)Feature 3D Anion Count: 1; (31)Feature 3D Ring Count: 2.
What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1CC(N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)O
(2)InChI: InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-
5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)
(3)InChIKey: ZTUKZKYDJMGJDC-UHFFFAOYSA-N
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