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

C31H30O4CAS 93379-48-7466.58 g/mol

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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.

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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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