chempirical

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

C18H22O4CAS 91604-41-0302.37 g/mol

Open in Covalent MOL file
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. Search the SDS library

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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