(+)-Taddol - CAS 93379-49-8

Name: (+)-Taddol
Brand: BOC Sciences
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Catalog:	BB040898
Product Name:	(+)-Taddol
CAS:	93379-49-8
Synonyms:	[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol; [(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

Technical Data

IUPAC Name:	[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
Description:	(4S,5S)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanol (CAS# 93379-49-8) is a useful research chemical.
Molecular Weight:	466.57
Molecular Formula:	C31H30O4
Canonical SMILES:	CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
InChI:	InChI=1S/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m0/s1
InChI Key:	OWVIRVJQDVCGQX-NSOVKSMOSA-N
Boiling Point:	633.152 °C / 760 mmHg
Melting Point:	193-196 °C
Purity:	98 %
Density:	1.2 g/cm³
Appearance:	Powder or crystals
Storage:	Inert atmosphere. Keep cold.
MDL:	MFCD00010079
LogP:	5.37870

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Complexity:	574
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	466.21440943
Formal Charge:	0
Heavy Atom Count:	35
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	466.21440943
Rotatable Bond Count:	6
Topological Polar Surface Area:	58.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.2