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128049-51-4 | 1H-Indole-1-carboxylic acid, 2,3-dihydro-6-hydroxy-3-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS No: 128049-51-4 Catalog No: AG000XPI MDL No:
Product Description
Catalog Number:
AG000XPI
Chemical Name:
1H-Indole-1-carboxylic acid, 2,3-dihydro-6-hydroxy-3-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS Number:
128049-51-4
Molecular Formula:
C15H21NO6S
Molecular Weight:
343.3953
IUPAC Name:
tert-butyl (3S)-6-hydroxy-3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C15H21NO6S/c1-15(2,3)22-14(18)16-8-10(9-21-23(4,19)20)12-6-5-11(17)7-13(12)16/h5-7,10,17H,8-9H2,1-4H3/t10-/m0/s1
InChI Key:
YBIFXPUUHIBODV-JTQLQIEISA-N
SMILES:
Oc1ccc2c(c1)N(C[C@H]2COS(=O)(=O)C)C(=O)OC(C)(C)C
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.394g/mol
Monoisotopic Mass:
343.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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