chempirical

1,2-O-Isopropylidene-α-D-glucofuranose

C9H16O6CAS 18549-40-1220.22 g/mol

Open in Covalent MOL file
OOOHOHOHO
AcetalAlcoholEther

Properties

Molecular formula
C9H16O6
Molar mass
220.22 g/mol
Exact mass
220.0947 Da
Melting point
160–160.5 °C
logP
-1.42Crippen estimate
Polar surface area
88.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, R, R, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 6 ECHA notifiers. Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
18549-40-1
SMILES
CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O1
InChIKey
BGGCXQKYCBBHAH-OZRXBMAMSA-N
InChI
InChI=1S/C9H16O6/c1-9(2)14-7-5(12)6(4(11)3-10)13-8(7)15-9/h4-8,10-12H,3H2,1-2H3/t4-,5+,6-,7-,8-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • α-D-Glucofuranose, 1,2-O-(1-methylethylidene)-
  • Glucofuranose, 1,2-O-isopropylidene-, α-D-
  • Glucofuranose, 1,2-O-isopropylidene-
  • Furo[2,3-d]-1,3-dioxole, α-D-glucofuranose deriv.
  • 1,2-O-(1-Methylethylidene)-α-D-glucofuranose
  • 1,2-Mono-O-isopropylidene-α-D-glucofuranose
  • NSC 1697
  • 1,2-O-Isopropylidene-alpha-D-glucofuranose

Work with 1,2-O-Isopropylidene-α-D-glucofuranose

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-O-Isopropylidene-A-L-xylofuranose114861-22-267 % similar 1,2-O-Isopropylidene-α-D-xylofuranose20031-21-467 % similar 3,4-O-Isopropylidene-D-mannitol3969-84-466 % similar 1,2-O-Cyclohexylidene-alpha-D-glucofuranose16832-21-664 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-657 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-357 % similar Diacetone-D-glucose582-52-557 % similar 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-653 % similar

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

Same formula

Diethyl bis(hydroxymethyl)malonate20605-01-0 Allyl α-D-glucopyranoside7464-56-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook