chempirical

C-Beta-D-xylopyranoside-2-hydroxypropane

C8H16O5CAS 439685-79-7192.21 g/mol

Open in Covalent MOL file
HOOOHOHHO
AlcoholEther

Properties

Molecular formula
C8H16O5
Molar mass
192.21 g/mol
Exact mass
192.0998 Da
logP
-1.76Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
2
Stereocentres
S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
439685-79-7
SMILES
CC(O)C[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIKey
KOGFZZYPPGQZFZ-QVAPDBTGSA-N
InChI
InChI=1S/C8H16O5/c1-4(9)2-6-8(12)7(11)5(10)3-13-6/h4-12H,2-3H2,1H3/t4?,5-,6+,7+,8+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • C-β-D-Xylopyranoside-2-hydroxypropane
  • L-Gluco-Octitol, 1,5-anhydro-6,8-dideoxy-, (7ξ)-
  • (7ξ)-1,5-Anhydro-6,8-dideoxy-L-gluco-octitol
  • Pro-xylane
  • Pro-xylane (pharmaceutical)

Work with C-Beta-D-xylopyranoside-2-hydroxypropane

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

1,5-Anhydroglucitol154-58-555 % similar D-Arabinopyranose28697-53-245 % similar α-D-Xylopyranose31178-70-845 % similar Alpha-D-Xylopyranose6763-34-445 % similar β-L-Arabinopyranose7296-56-245 % similar L-Arabinopyranose87-72-945 % similar Methyl beta-L-arabinopyranoside1825-00-944 % similar Methyl beta-D-arabinopyranoside5328-63-244 % similar

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

Elsewhere

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