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Chemistry

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Also known as: Art26.12, Schembl24314833, Schembl26794996, Ex-a10157, Hy-159115, 2766800-24-0

Molecular Formula

C₂₉H₂₈O₆

Molecular Weight

472.5 g/mol

InChI Key

HFKXLDACQCGGEI-BINWOUKTSA-N

1 2D Structure

ART26.12

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,4R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid

2.1.2 InChI

InChI=1S/C29H28O6/c1-33-22-13-7-5-11-20(22)24-26(28(30)31)25(21-12-6-8-14-23(21)34-2)27(24)29(32)35-19-15-17-9-3-4-10-18(17)16-19/h3-14,19,24-27H,15-16H2,1-2H3,(H,30,31)/t24-,25-,26?,27?/m1/s1

2.1.3 InChI Key

HFKXLDACQCGGEI-BINWOUKTSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Art26.12

2. Schembl24314833

3. Schembl26794996

4. Ex-a10157

5. Hy-159115

6. 2766800-24-0

2.3 Create Date

2022-05-13

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₂₈O₆
Molecular Weight	472.5 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	82.1
Heavy Atom Count	35
Formal Charge	0
Complexity	707
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1