chempirical

((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)

C31H30O4CAS 93379-48-7466.58 g/mol

Open in Covalent MOL file
OOOHOH
AcetalAlcoholEther

Properties

Molecular formula
C31H30O4
Molar mass
466.58 g/mol
Exact mass
466.2144 Da
logP
5.38Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
93379-48-7
SMILES
CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
InChIKey
OWVIRVJQDVCGQX-VSGBNLITSA-N
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-/m1/s1

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Names and synonyms

1 names
  • (-)-Taddol

Work with ((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S,S)-TADDOL93379-49-8Enantiomer

Similar compounds

α-[(1S)-1-Aminoethyl]-α-phenylbenzenemethanol78603-91-547 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-047 % similar (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol78603-95-944 % similar (R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol86695-06-944 % similar (2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-044 % similar (R)-(+)-1,1,2-Triphenyl-1,2-ethanediol95061-46-444 % similar (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-143 % similar (R)-Alpha,alpha-diphenylmethylprolinol144119-12-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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