CAS No.176237-45-9,L-Norvaline, 5-[(methylsulfonyl)oxy]-N-[(phenylmethoxy)carbonyl]-, 1-methylethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	176237-45-9
Name:	L-Norvaline, 5-[(methylsulfonyl)oxy]-N-[(phenylmethoxy)carbonyl]-, 1-methylethyl ester
Article Data:	1

Formula:	C₁₇H₂₅NO₇S
Molecular Weight:	387.4479
Synonyms:	Propan-2-yl N-[(benzyloxy)carbonyl]-5-[(methylsulfonyl)oxy]-L-norvalinate;
Density:	1.231 g/cm³
Boiling Point:	565.362 °C at 760 mmHg
Flash Point:	295.721 °C
PSA:	116.38000
LogP:	3.46110

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Specification

The L-Norvaline, 5-[(methylsulfonyl)oxy]-N-[(phenylmethoxy)carbonyl]-, 1-methylethyl ester, with the CAS registry number 176237-45-9, is also known as Isopropyl N-[(benzyloxy)carbonyl]-5-[(methylsulfonyl)oxy]-L-norvalinate. This chemical's molecular formula is C₁₇H₂₅NO₇S and molecular weight is 387.4479. What's more, its systematic name is Propan-2-yl N-[(benzyloxy)carbonyl]-5-[(methylsulfonyl)oxy]-L-norvalinate.

Physical properties about L-Norvaline, 5-[(methylsulfonyl)oxy]-N-[(phenylmethoxy)carbonyl]-, 1-methylethyl ester are: (1)ACD/LogP: 2.32; (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): 89; (6)ACD/BCF (pH 7.4): 89; (7)ACD/KOC (pH 5.5): 868; (8)ACD/KOC (pH 7.4): 867; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 116.38 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 95.57 cm³; (15)Molar Volume: 314.74 cm³; (16)Polarizability: 37.887×10^-24 cm³; (17)Surface Tension: 45.397 dyne/cm; (18)Density: 1.231 g/cm³; (19)Flash Point: 295.721 °C; (20)Enthalpy of Vaporization: 84.92 kJ/mol; (21)Boiling Point: 565.362 °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=S(=O)(OCCC[C@@H](C(=O)OC(C)C)NC(=O)OCc1ccccc1)C
(2) InChI: InChI=1/C17H25NO7S/c1-13(2)25-16(19)15(10-7-11-24-26(3,21)22)18-17(20)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
(3) InChIKey: AJOMNCBHVGRUQY-HNNXBMFYBG