chempirical

Aldehydo-D-digitoxose

C6H12O4CAS 527-52-6148.16 g/mol

Open in Covalent MOL file
HOOHOHO
AlcoholAldehyde

Properties

Molecular formula
C6H12O4
Molar mass
148.16 g/mol
Exact mass
148.0736 Da
Melting point
112 °C
logP
-1.32Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
R, R, Sin 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
527-52-6
SMILES
C[C@@H](O)[C@@H](O)[C@@H](O)CC=O
InChIKey
JWFRNGYBHLBCMB-NGJCXOISSA-N
InChI
InChI=1S/C6H12O4/c1-4(8)6(10)5(9)2-3-7/h3-6,8-10H,2H2,1H3/t4-,5+,6-/m1/s1

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

Names and synonyms

7 names
  • Digitoxose
  • D-Ribo-Hexose, 2,6-dideoxy-
  • 2,6-Dideoxy-D-ribo-hexose
  • D-Digitoxose
  • 2,6-Dideoxy-D-altrose
  • (+)-Digitoxose
  • NSC 87513

Work with Aldehydo-D-digitoxose

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

2-Deoxy-D-glucose154-17-657 % similar 2-Deoxy-D-galactose1949-89-957 % similar 5-Deoxy-L-ribose18555-65-250 % similar Fucose2438-80-448 % similar (+)-Fucose3615-37-048 % similar Rhamnose3615-41-648 % similar L-Deoxyribose18546-37-747 % similar Deoxyribose533-67-547 % similar

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

Same formula

2,2-Bis(hydroxymethyl)butanoic acid10097-02-6 Hydroxypropyl acrylate25584-83-2 Methyl 2-deoxy-D-erythro-pentofuranoside60134-26-1 Methyl 3,3-dimethoxypropionate7424-91-1

Elsewhere

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