(1S,2R,3S,5R)-3-(Phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane
Properties
- Molecular formula
- C20H22O3
- Molar mass
- 310.39 g/mol
- Exact mass
- 310.1569 Da
- logP
- 3.58Crippen estimate
- Polar surface area
- 31.0 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 7
- Stereocentres
- R, S, R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
110567-22-1SMILES
c1ccc(COC[C@H]2[C@@H]3O[C@@H]3C[C@@H]2OCc2ccccc2)cc1InChIKey
YPDRJNPIGFCETD-WCIQWLHISA-NInChI
InChI=1S/C20H22O3/c1-3-7-15(8-4-1)12-21-14-17-18(11-19-20(17)23-19)22-13-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18+,19-,20+/m1/s1Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C20H23O3 311.1642[M + Na]+
[M + Na]+ Calcd for C20H22NaO3 333.1461[M − H]−
[M − H]− Calcd for C20H21O3 309.1496Elemental analysis
Anal. Calcd for C20H22O3: C, 77.39; H, 7.14.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 6-Oxabicyclo[3.1.0]hexane, 3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (1S,2R,3S,5R)-
- 6-Oxabicyclo[3.1.0]hexane, 3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, [1S-(1α,2α,3β,5α)]-
- (1S,2R,3S,5R)-3-(Phenylmethoxy)-2-((phenylmethoxy)methyl)-6-oxabicyclo(3.1.0)hexane
Work with (1S,2R,3S,5R)-3-(Phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane
Similar compounds
2,3,5-Tri-O-benzyl-beta-D-arabinofuranose60933-68-851 % similar
2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-950 % similar
2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-950 % similar
2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-350 % similar
(-)-Benzyl (R)-glycidyl ether14618-80-549 % similar
(+)-Benzyl glycidyl ether16495-13-949 % similar
Benzyl glycidyl ether2930-05-449 % similar
Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.