Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside

C9H16O5CAS 4099-85-8204.22 g/mol

Open in Covalent MOL file
OOOHOO
AcetalAlcoholEther

Properties

Molecular formula
C9H16O5
Molar mass
204.22 g/mol
Exact mass
204.0998 Da
Boiling point
92–94 °C (at 0.08 Torr)
logP
-0.13Crippen estimate
Polar surface area
57.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
4099-85-8
SMILES
CO[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@@H]12
InChIKey
DXBHDBLZPXQALN-WCTZXXKLSA-N
InChI
InChI=1S/C9H16O5/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8,10H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1

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

Names and synonyms

7 names
  • β-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-
  • Ribofuranoside, methyl 2,3-O-isopropylidene-, β-D-
  • Ribofuranoside, methyl 2,3-O-isopropylidene-
  • Furo[3,4-d]-1,3-dioxole, β-D-ribofuranoside deriv.
  • Methyl 2,3-O-isopropylidene-β-D-ribofuranoside
  • NSC 85191
  • Methyl 2,3-O-(1-methylethylidene)-beta-D-ribofuranoside

Work with Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside

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

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.

Methyl-2,3-O-isopropylidene-D-ribofuranoside72402-14-3Stereoisomer

Similar compounds

1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-675 % similar 1,2-O-Isopropylidene-A-L-xylofuranose114861-22-257 % similar 1,2-O-Isopropylidene-α-D-xylofuranose20031-21-457 % 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 2,3-O-Isopropylidene-1-O-methyl-D-ribosic acid54622-95-649 % similar 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose20881-04-349 % similar Methyl β-D-ribofuranoside7473-45-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dipropanoylglycerol18373-31-4 Diethyl 3-hydroxyglutarate32328-03-3

Elsewhere

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