chempirical

β-D-Allopyranose

C6H12O6CAS 7283-09-2180.16 g/mol

Open in Covalent MOL file
HOOOHOHOHHO
AlcoholEther

Properties

Molecular formula
C6H12O6
Molar mass
180.16 g/mol
Exact mass
180.0634 Da
Melting point
128–128.5 °C
logP
-3.22Crippen estimate
Polar surface area
110.4 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
1
Stereocentres
R, R, R, R, Sin SMILES atom order

Identifiers

CAS number
7283-09-2
SMILES
OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O
InChIKey
WQZGKKKJIJFFOK-QZABAPFNSA-N
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1

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

Names and synonyms

3 names
  • Allopyranose, β-D-
  • β-D-Allose
  • 6-Deoxy-6-fluoro-D-β-allopyranose

Work with β-D-Allopyranose

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

β-D-Glucose492-61-5100 % similar α-D-Glucose492-62-6100 % similar α-D-Glucose monohydrate14431-43-788 % similar α-D-Glucose monohydrate5996-10-188 % similar α-D-Lactose14641-93-170 % similar β-Lactose5965-66-270 % similar Lactose, monohydrate10039-26-664 % similar α-Lactose monohydrate5989-81-164 % similar

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

Same formula

L-Mannose10030-80-5 D-Galactopyranose10257-28-0 L-Galactose15572-79-9 Altrose1990-29-0 L-Talose23567-25-1 Allose2595-97-3 Talose2595-98-4 Mannose3458-28-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook