chempirical

2-Deoxy-D-glucose

C6H12O5CAS 154-17-6164.16 g/mol

Open in Covalent MOL file
OOHOHOHOH
AlcoholAldehyde

Properties

Molecular formula
C6H12O5
Molar mass
164.16 g/mol
Exact mass
164.0685 Da
Melting point
146.5 °C
logP
-2.35Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
5
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
154-17-6
SMILES
O=CC[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
VRYALKFFQXWPIH-PBXRRBTRSA-N
InChI
InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • D-Arabino-Hexose, 2-deoxy-
  • 2-Deoxy-D-arabino-hexose
  • D-Glucose, 2-deoxy-
  • 2-Deoxyglucose
  • Ba 2758
  • 2-Desoxy-D-glucose
  • 2-Deoxy-D-mannose
  • NSC 15193
  • 2 DG

Work with 2-Deoxy-D-glucose

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

L-Deoxyribose18546-37-772 % similar Deoxyribose533-67-572 % similar Ribitol488-81-361 % similar D-Arabitol488-82-461 % similar Arabitol7643-75-661 % similar Xylitol87-99-061 % similar D-Arabinose10323-20-359 % similar D-Lyxose1114-34-759 % similar

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

Same formula

1,5-Anhydroglucitol154-58-5 Methyl β-L-arabinopyranoside1825-00-9 2-Deoxy-D-galactose1949-89-9 Fucose2438-80-4 (+)-Fucose3615-37-0 Rhamnose3615-41-6 Methyl β-D-arabinopyranoside5328-63-2 α-L-Rhamnose6014-42-2

Elsewhere

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