chempirical

Methyl 2-deoxy-D-erythro-pentofuranoside

C6H12O4CAS 60134-26-1148.16 g/mol

Open in Covalent MOL file
OOOHOH
AcetalAlcoholEther

Properties

Molecular formula
C6H12O4
Molar mass
148.16 g/mol
Exact mass
148.0736 Da
logP
-0.90Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
S, Rin 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
60134-26-1
SMILES
COC1C[C@@H]([C@H](O1)CO)O
InChIKey
NVGJZDFWPSOTHM-YRZWDFBDSA-N
InChI
InChI=1S/C6H12O4/c1-9-6-2-4(8)5(3-7)10-6/h4-8H,2-3H2,1H3/t4-,5+,6?/m0/s1

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Names and synonyms

1 names
  • 1-O-Methyl-2-deoxy-D-ribose

Work with Methyl 2-deoxy-D-erythro-pentofuranoside

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

2,2-Dimethoxyethanol30934-97-548 % similar 3-O-Methyl-α-D-glucopyranose13224-94-744 % similar Methyl β-D-ribofuranoside7473-45-244 % similar Methyl β-D-galactopyranoside1824-94-843 % similar Methyl-α-D-galactose3396-99-443 % similar Methyl α-D-mannopyranoside617-04-943 % similar Methyl β-D-glucopyranoside709-50-243 % similar Methyl α-D-glucopyranoside97-30-343 % 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 Digitoxose527-52-6 Methyl 3,3-dimethoxypropionate7424-91-1

Elsewhere

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