(2Rs)-lotaustralin

C11H19NO6CAS 1973415-50-7261.27 g/mol

Open in Covalent MOL file
NOOHOOHOHHO
AcetalAlcoholEtherNitrile

Properties

Molecular formula
C11H19NO6
Molar mass
261.27 g/mol
Exact mass
261.1212 Da
logP
-1.50Crippen estimate
Polar surface area
123.2 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4
Stereocentres
S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1973415-50-7
SMILES
CCC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChIKey
WEWBWVMTOYUPHH-GXUZYPEDSA-N
InChI
InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11?/m1/s1

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Work with (2Rs)-lotaustralin

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

Trehalose99-20-751 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-448 % similar Methyl beta-D-galactopyranoside1824-94-847 % similar Methyl alpha-D-galactopyranoside3396-99-447 % similar Methyl alpha-D-mannopyranoside617-04-947 % similar Methyl β-D-glucopyranoside709-50-247 % similar Methyl D-galactopyranoside93302-26-247 % similar Methyl α-D-glucopyranoside97-30-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-glu(ome)-oh45214-91-3 (4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid72086-72-7

Elsewhere

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