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CAS No.: | 626-69-7 |
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Name: | H-SER(SO3H)-OH |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C3H7NO6S |
Molecular Weight: | 185.158 |
Synonyms: | L-Serine,hydrogen sulfate (ester) (9CI);Serine, hydrogen sulfate (7CI);Serine,hydrogen sulfate (ester), L- (8CI);L-Serine O-sulfate;O-Sulfo-L-serine;Sulfoserine; |
Density: | 1.821g/cm3 |
The L-Serine, O-sulfo-, with CAS registry number 626-69-7, has the systematic name of O-sulfo-L-serine. Besides this, it is also called L-Serine, hydrogen sulfate (ester). This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C3H7NO6S.
Physical properties of L-Serine, O-sulfo-: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.22; (4)ACD/LogD (pH 7.4): -4.36; (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: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 90.52 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 33.27 cm3; (15)Molar Volume: 101.6 cm3; (16)Polarizability: 13.19×10-24cm3; (17)Surface Tension: 97.4 dyne/cm; (18)Density: 1.821 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)OC[C@@H](C(=O)O)N
(2)InChI: InChI=1/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
(3)InChIKey: LFZGUGJDVUUGLK-REOHCLBHBW
(4)Std. InChI: InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
(5)Std. InChIKey: LFZGUGJDVUUGLK-REOHCLBHSA-N