1,2-O-Isopropylidene-A-L-xylofuranose

C₈H₁₄O₅CAS 114861-22-2190.19 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₈H₁₄O₅
Molar mass: 190.19 g/mol
Exact mass: 190.0841 Da
logP: -0.78Crippen estimate
Polar surface area: 68.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1
Stereocentres: S, R, S, Sin SMILES atom order

Identifiers

CAS number

114861-22-2

SMILES

CC1(O[C@H]2[C@@H]([C@@H](O[C@H]2O1)CO)O)C

InChIKey

JAUQZVBVVJJRKM-VZFHVOOUSA-N

InChI

InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7-/m0/s1

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

Work with 1,2-O-Isopropylidene-A-L-xylofuranose

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

1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-670 % similar 1,2-O-Isopropylidene-α-D-glucofuranose18549-40-167 % similar Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside4099-85-857 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-656 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-356 % similar Diacetone-D-glucose582-52-556 % similar (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol50622-09-852 % similar (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol73346-74-452 % similar

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

Same formula

1,2-O-Isopropylidene-α-D-xylofuranose20031-21-4 Oxydiethylene acetate628-68-2

Elsewhere

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