(+)-1,4-Di-O-benzyl-D-threitol

C18H22O4CAS 91604-41-0302.37 g/mol

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OOHOOH
AlcoholEther

Properties

Molecular formula
C18H22O4
Molar mass
302.37 g/mol
Exact mass
302.1518 Da
logP
2.14Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
9
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
91604-41-0
SMILES
C1=CC=C(C=C1)COC[C@H]([C@@H](COCC2=CC=CC=C2)O)O
InChIKey
YAVAVQDYJARRAU-QZTJIDSGSA-N
InChI
InChI=1S/C18H22O4/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-/m1/s1

Weigh it out

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

Work with (+)-1,4-Di-O-benzyl-D-threitol

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.

(-)-1,4-Di-O-benzyl-L-threitol17401-06-8Enantiomer

Similar compounds

1,3-Bis(phenylmethoxy)-2-propanol6972-79-870 % similar (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene110567-21-062 % similar (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol188399-48-662 % similar 3-(Benzyloxy)-1,2-propanediol13071-59-561 % similar 3-(Benzyloxy)propane-1,2-diol17325-85-861 % similar 3-(Benzyloxy)-1,2-propanediol4799-67-161 % similar (-)-Benzyl (R)-glycidyl ether14618-80-559 % similar (+)-Benzyl glycidyl ether16495-13-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hydride-L41639-74-1 Nordihydroguaiaretic acid500-38-9

Elsewhere

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