1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-(benzenesulfonylmethyl)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]acetaldehyde

2.1.2 InChI

InChI=1S/C29H52O7SSi2/c1-28(2,3)38(8,9)34-20-22(36-39(10,11)29(4,5)6)19-26-27(33-7)24(25(35-26)17-18-30)21-37(31,32)23-15-13-12-14-16-23/h12-16,18,22,24-27H,17,19-21H2,1-11H3

2.1.3 InChI Key

LHMXTZSRSFQTQK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)[Si](C)(C)OCC(CC1C(C(C(O1)CC=O)CS(=O)(=O)C2=CC=CC=C2)OC)O[Si](C)(C)C(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 871348-24-2

2. 2-((2s,3s,4r,5r)-5-((s)-2,3-bis((tert-butyldimethylsilyl)oxy)propyl)-4-methoxy-3-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)acetaldehyde

3. Cid 72483189

2.3 Create Date

2014-01-03

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₅₂O₇SSi₂
Molecular Weight	601.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	15
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	96.5
Heavy Atom Count	39
Formal Charge	0
Complexity	881
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

2-[3-(Benzenesulfonylmethyl)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]acetaldehyde

2-[3-(Benzenesulfonylmethyl)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-2-yl]acetaldehyde

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