chempirical

(1S,2R,3S,5R)-3-(Phenylmethoxy)-2-[(phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexane

C20H22O3CAS 110567-22-1310.39 g/mol

Open in Covalent MOL file
OOO
EpoxideEther

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. Search the SDS library

Identifiers

CAS number
110567-22-1
SMILES
c1ccc(COC[C@H]2[C@@H]3O[C@@H]3C[C@@H]2OCc2ccccc2)cc1
InChIKey
YPDRJNPIGFCETD-WCIQWLHISA-N
InChI
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/s1

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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

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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. All similar compounds

Same formula

Avobenzone70356-09-1

Elsewhere

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