chempirical

C-β-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

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

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

Names and synonyms

4 names
  • 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-β-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 α-D-Xylopyranose6763-34-445 % similar β-L-Arabinopyranose7296-56-245 % similar L-Arabinopyranose87-72-945 % similar Methyl β-L-arabinopyranoside1825-00-944 % similar Methyl β-D-arabinopyranoside5328-63-244 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook