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19794-48-0

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Basic Information
CAS No.: 19794-48-0
Name: H-D-SER(SO3H)-OH
Molecular Structure:
Molecular Structure of 19794-48-0 (H-D-SER(SO3H)-OH)
Formula: C3H7NO6S
Molecular Weight: 185.158
Synonyms: Serine,hydrogen sulfate (ester), D- (8CI);D-Serine-O-sulfate;
Density: 1.821 g/cm3
PSA: 135.30000
LogP: -0.00120
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Specification

The CAS registry number of D-Serine, hydrogensulfate (ester) (9CI) is 19794-48-0. This chemical is also named as D-Serine O-sulfonic acid. In addition, its molecular formula is C3H7NO6S and molecular weight is 185.16. Its systematic name is called O-Sulfo-L-serine.

Physical properties about D-Serine, hydrogensulfate (ester) (9CI) are: (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)Index of Refraction: 1.568; (13)Molar Refractivity: 33.27 cm3; (14)Molar Volume: 101.6 cm3; (15)Surface Tension: 97.4 dyne/cm; (16)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