1,2-O-Isopropylidene-α-D-xylofuranose
Properties
- Molecular formula
- C8H14O5
- Molar mass
- 190.20 g/mol
- Exact mass
- 190.0841 Da
- Melting point
- 40–41 °C
- Boiling point
- 150–151 °C
- logP
- -0.78Crippen estimate
- Polar surface area
- 68.2 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 1
- Stereocentres
- R, R, S, Rin SMILES atom order
Identifiers
CAS number
20031-21-4SMILES
CC1(C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]2O1InChIKey
JAUQZVBVVJJRKM-XZBKPIIZSA-NInChI
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-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- α-D-Xylofuranose, 1,2-O-(1-methylethylidene)-
- Xylofuranose, 1,2-O-isopropylidene-, α-D-
- Xylofuranose, 1,2-O-isopropylidene-
- Furo[2,3-d]-1,3-dioxole, α-D-xylofuranose deriv.
- 1,2-O-(1-Methylethylidene)-α-D-xylofuranose
- 1,2-O-Isopropylidene-D-xylofuranose
- 1,2-Di-O-isopropylidene-α-D-xylofuranose
Work with 1,2-O-Isopropylidene-α-D-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
Boiling point under vacuumAt any pressure, from its normal boiling point
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