chempirical

(S,S)-Taddol

C31H30O4CAS 93379-49-8466.58 g/mol

Open in Covalent MOL file
OOHOHO
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
S, Sin SMILES atom order

Identifiers

CAS number
93379-49-8
SMILES
CC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(O)(c2ccccc2)c2ccccc2)O1
InChIKey
OWVIRVJQDVCGQX-NSOVKSMOSA-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-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-α4,α4,α5,α5-tetraphenyl-, (4S,5S)-
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-α,α,α′,α′-tetraphenyl-, (4S-trans)-
  • 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-α,α,α′,α′-tetraphenyl-, (4S,5S)-
  • (4S,5S)-2,2-Dimethyl-α4,α4,α5,α5-tetraphenyl-1,3-dioxolane-4,5-dimethanol
  • (S,S)-4,5-Bis(diphenylhydroxymethyl)-2,2-dimethyl-1,3-dioxolane
  • (+)-trans-α,α′-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)
  • (+)-Taddol I
  • (+)-Taddol
  • (4S,5S)-Taddol
  • (4S,5S)-4,5-Bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane
  • (S,S)-2,2-Dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanol
  • (S)-Taddol

Work with (S,S)-Taddol

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

Similar compounds

α-[(1S)-1-Aminoethyl]-α-phenylbenzenemethanol78603-91-547 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-047 % similar (2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-044 % similar (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-143 % similar α,α-Diphenyl-L-prolinol112068-01-642 % similar (R)-α,α-Diphenylprolinol22348-32-942 % similar 1,1-Diphenylethanol599-67-742 % similar 2-Phenyl-2-propanol617-94-742 % similar

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

Elsewhere

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