1,2-O-(1-Methylethylidene)-4-c-[(phenylmethoxy)methyl]-3-o-(phenylmethyl)--l-lyxofuranose

C₂₃H₂₈O₆CAS 153186-10-8400.47 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₂₃H₂₈O₆
Molar mass: 400.47 g/mol
Exact mass: 400.1886 Da
logP: 3.03Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 8
Stereocentres: R, S, 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

153186-10-8

SMILES

CC1(O[C@@H]2[C@@H]([C@@](O[C@@H]2O1)(CO)COCC3=CC=CC=C3)OCC4=CC=CC=C4)C

InChIKey

NVBGHWZBQWKVNK-BESBDSHLSA-N

InChI

InChI=1S/C23H28O6/c1-22(2)27-19-20(26-14-18-11-7-4-8-12-18)23(15-24,29-21(19)28-22)16-25-13-17-9-5-3-6-10-17/h3-12,19-21,24H,13-16H2,1-2H3/t19-,20+,21+,23-/m1/s1

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Names and synonyms

1 names

1,2-O-(1-Methylethylidene)-4-C-[(phenylmethoxy)methyl]-3-O-(phenylmethyl)-L-lyxofuranose

Work with 1,2-O-(1-Methylethylidene)-4-c-[(phenylmethoxy)methyl]-3-o-(phenylmethyl)--l-lyxofuranose

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

4-C-(Hydroxymethyl)-1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-erythro-pentofuranose63593-03-386 % similar 1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-α-D-glucofuranose53928-30-651 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-245 % similar (3R,4S,5S)-4-(Benzyloxy)-5-((benzyloxy)methyl)-5-(((tert-butyldiphenylsilyl)oxy)methyl)tetrahydrofuran-2,3-diyl diacetate1300589-59-643 % similar (S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane16495-03-740 % similar N-((3Ar,4S,7S,8R,8ar)-4-(hydroxymethyl)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-D]oxepin-8-yl)acetamide1824718-03-739 % similar Tetrabenzyl-voglibose115250-39-038 % similar Phenylmethyl N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamate274693-53-736 % similar

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

Same formula

Prednisone acetate125-10-0 Schisandrin B61281-37-6 Gomisin N69176-52-9 (16Alpha)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione77017-20-0

Elsewhere

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