chempirical

Allose

C6H12O6CAS 2595-97-3180.16 g/mol

Open in Covalent MOL file
OOHOHOHOHOH
AlcoholAldehyde

Properties

Molecular formula
C6H12O6
Molar mass
180.16 g/mol
Exact mass
180.0634 Da
Melting point
128 °C
logP
-3.38Crippen estimate
Polar surface area
118.2 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5
Stereocentres
R, R, R, Rin SMILES atom order

Identifiers

CAS number
2595-97-3
SMILES
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIKey
GZCGUPFRVQAUEE-BGPJRJDNSA-N
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • D-Allose
  • Allose, D-
  • (2R,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal

Work with Allose

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

Glucose50-99-7100 % similar Galactose59-23-4100 % similar L-Gulose6027-89-0100 % similar L-Glucose921-60-8100 % similar D-Arabinose10323-20-388 % similar D-Lyxose1114-34-788 % similar Arabinose147-81-988 % similar Lyxose1949-78-688 % 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 Talose2595-98-4 Mannose3458-28-4 D-Sorbose3615-56-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia