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L-Proline,4-hydroxy-1-(1-oxododecyl)-, (4R)- (135777-18-3)

Identification
Name:L-Proline,4-hydroxy-1-(1-oxododecyl)-, (4R)-
Synonyms:L-Proline,4-hydroxy-1-(1-oxododecyl)-, trans-;
CAS:135777-18-3
Molecular Formula: C17H31NO4
Molecular Weight: 313.43
InChI: InChI=1/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-14(19)12-15(18)17(21)22/h14-15,19H,2-13H2,1H3,(H,21,22)/t14?,15-/m0/s1
Molecular Structure: (C17H31NO4) L-Proline,4-hydroxy-1-(1-oxododecyl)-, trans-;
Properties
Melting Point: 86-87 ºC
Density:1.098
Refractive index:1.509
Specification:

The N-Dodecanoyl-4-hydroxy-L-proline, with CAS registry number 135777-18-3, has the systematic name of L-proline, 4-hydroxy-1-(1-oxododecyl)-. Besides this, it is also called 1-Dodecanoyl-4-hydroxy-L-proline. And the chemical formula of this chemical is C17H31NO4.

Physical properties of N-Dodecanoyl-4-hydroxy-L-proline: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/BCF (pH 5.5): 2.1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.68; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 77.84 Å2; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 85.24 cm3; (14)Molar Volume: 285.3 cm3; (15)Polarizability: 33.79×10-24cm3; (16)Surface Tension: 47.2 dyne/cm; (17)Enthalpy of Vaporization: 89.45 kJ/mol; (18)Vapour Pressure: 2.13E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCC(=O)N1CC(C[C@H]1C(=O)O)O
(2)InChI: InChI=1/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-14(19)12-15(18)17(21)22/h14-15,19H,2-13H2,1H3,(H,21,22)/t14?,15-/m0/s1
(3)InChIKey: BWSWZBCSFZAYOB-LOACHALJBA
(4)Std. InChI: InChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-14(19)12-15(18)17(21)22/h14-15,19H,2-13H2,1H3,(H,21,22)/t14?,15-/m0/s1
(5)Std. InChIKey: BWSWZBCSFZAYOB-LOACHALJSA-N

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