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20531-37-7

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Basic Information
CAS No.: 20531-37-7
Name: (R)-(-)-N-(Phenylsulphonyl)glutamic acid
Molecular Structure:
Molecular Structure of 20531-37-7 ((R)-(-)-N-(Phenylsulphonyl)glutamic acid)
Formula: C11H13NO6S
Molecular Weight: 287.29
Synonyms: (+)-N-Benzenesulfonylglutamic acid;
Density: 1.468 g/cm3
Boiling Point: 531.7 °C at 760 mmHg
Flash Point: 275.4 °C
PSA: 129.15000
LogP: 1.75460
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    (S)-(+)-N-(PHENYLSULFONYL)GLUTAMIC ACIDCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The (R)-(-)-N-(Phenylsulphonyl)glutamic acid, with the CAS registry number of 20531-37-7, is also known as (+)-N-Benzenesulfonylglutamic acid. This chemical's molecular formula is C11H13NO6S and molecular weight is 287.29. What's more, its systematic name is N-(Phenylsulfonyl)-D-glutamic acid.

Physical properties about (R)-(-)-N-(Phenylsulphonyl)glutamic acid are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.31; (4)ACD/LogD (pH 7.4): -4.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 98.36 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 65.65 cm3; (15)Molar Volume: 195.6 cm3; (16)Polarizability: 26.02×10-24 cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.468 g/cm3; (19)Flash Point: 275.4 °C; (20)Enthalpy of Vaporization: 84.98 kJ/mol; (21)Boiling Point: 531.7 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N[C@@H](C(=O)O)CCC(=O)O)c1ccccc1
(2) InChI: InChI=1/C11H13NO6S/c13-10(14)7-6-9(11(15)16)12-19(17,18)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)/t9-/m1/s1
(3) InChIKey: PJLOGZZDKDUMFU-SECBINFHBM