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37673-39-5

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Basic Information
CAS No.: 37673-39-5
Name: tricosyl 5-oxo-L-prolinate
Molecular Structure:
Molecular Structure of 37673-39-5 (tricosyl 5-oxo-L-prolinate)
Formula: C28H53NO3
Molecular Weight: 451.734
Synonyms: Tricosyl 5-oxo-L-prolinate;
EINECS: 253-606-4
Density: 0.937 g/cm3
Boiling Point: 569 °C at 760 mmHg
Flash Point: 297.9 °C
PSA: 58.89000
LogP: 8.29610
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Specification

The L-Proline, 5-oxo-,tricosyl ester, with the CAS registry number of 37673-39-5, is also known as Tricosyl 5-oxo-L-prolinate. Its EINECS registry number is 253-606-4. Its molecular formula is C28H53NO3 and molecular weight is 451.72532. What's more, its systematic name is Tricosyl (2S)-5-oxopyrrolidine-2-carboxylate.

Physical properties about the L-Proline, 5-oxo-,tricosyl ester are: (1)ACD/LogP: 9.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.77; (4)ACD/LogD (pH 7.4): 9.77; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 24; (8)Polar Surface Area: 55.4 Å2; (9)Index of Refraction: 1.471; (10)Molar Refractivity: 134.79 cm3; (11)Molar Volume: 482 cm3; (12)Surface Tension: 35.8 dyne/cm; (13)Density: 0.937 g/cm3; (14)Flash Point: 297.9 °C; (15)Enthalpy of Vaporization: 85.38 kJ/mol; (16)Boiling Point: 569 °C at 760 mmHg; (17)Vapour Pressure: 5.81E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCCC)[C@@H]1CCC(=O)N1
(2) InChI: InChI=1/C28H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28(31)26-23-24-27(30)29-26/h26H,2-25H2,1H3,(H,29,30)/t26-/m0/s1
(3) InChIKey: PGSABEJBUAHFIK-SANMLTNEBQ