AG003BC7

109306-21-0 | (+)-4,5-BIS[HYDROXY(DIPHENYL)METHYL]-2-METHYL-2-PHENYL-1,3-DIOXOLANE

AG003BC7

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CAS Number	109306-21-0
Catalog Number	AG003BC7(AGN-PC-0OZF1G)
Chemical Name	(+)-4,5-BIS[HYDROXY(DIPHENYL)METHYL]-2-METHYL-2-PHENYL-1,3-DIOXOLANE
IUPAC Name	[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
InChI	InChI=1S/C36H32O4/c1-34(27-17-7-2-8-18-27)39-32(35(37,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33(40-34)36(38,30-23-13-5-14-24-30)31-25-15-6-16-26-31/h2-26,32-33,37-38H,1H3/t32-,33-/m1/s1
InChI Key	QVQMFUMIQACODH-CZNDPXEESA-N
MDL Number	MFCD00191611
Molecular Formula	C36H32O4
Molecular Weight	528.6369
SMILES	CC1(O[C@H]([C@@H](O1)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
Synonyms	109306-21-0, (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane, ((4R,5R)-2-Methyl-2-phenyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol), [(4R,5R)-2-Methyl-2-phenyl-1,3-dioxolane-4,5-diyl]bis(diphenylmethanol), SCHEMBL8538845, MFCD00191611, ZINC34111533, AB1011169, TR-002043, J-002265, (2R,3R)-1,1,4,4-Tetraphenyl-2,3-O-(1-phenylethylidene)-1,2,3,4-butanetetrol, (2R,3R)-2,3-O-(1-Phenylethylidene)-1,1,4,4-tetraphenyl-1,2,3,4-butanetetrol, (4R,5R)-2-Methyl-a,a,a\',a\',2-pentaphenyl-1,3-dioxolane-4,5-dimethanol, 2-Methyl-2,alpha,alpha,alpha',alpha'-pentaphenyl-1,3-dioxolane-4beta,5alpha-dimethanol, (2R,3R)-1,1,4,4-Tetraphenyl-2,3-O-(1-phenylethylidene)-1,2,3,4-butanetetrol;(2R,3R)-2,3-O-(1-Phenylethylidene)-1,1,4,4-tetraphenyl-1,2,3,4-butanetetrol, TADDOL, QVQMFUMIQACODH-CZNDPXEESA-N, CID10580038, B1615, [(4S,5S)-5-(hydroxy-diphenyl-methyl)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenyl-methanol,

Complexity	691
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	528.23g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	528.648g/mol
Monoisotopic Mass	528.23g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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