1,2-O-Isopropylidene-α-D-xylofuranose

C8H14O5CAS 20031-21-4190.20 g/mol

Open in Covalent MOL file
OOOHOHO
AcetalAlcoholEther

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20031-21-4
SMILES
CC1(C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]2O1
InChIKey
JAUQZVBVVJJRKM-XZBKPIIZSA-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-/m1/s1

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Names and synonyms

8 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
  • 1,2-O-Isopropylidene-alpha-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,2-O-Isopropylidene-A-L-xylofuranose114861-22-2Enantiomer

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 Methyl-2,3-O-isopropylidene-D-ribofuranoside72402-14-357 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oxydiethylene acetate628-68-2 Diethyl L-malate691-84-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook