chempirical

((3As,5r,6s,6as)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)(morpholino)methanone

C12H19NO6CAS 1103738-19-7273.28 g/mol

Open in Covalent MOL file
OOOONOOH
AcetalAlcoholAmideEther

Properties

Molecular formula
C12H19NO6
Molar mass
273.28 g/mol
Exact mass
273.1212 Da
logP
-0.92Crippen estimate
Polar surface area
77.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1
Stereocentres
S, S, R, Sin SMILES atom order

Identifiers

CAS number
1103738-19-7
SMILES
CC1(O[C@H]2[C@@H]([C@@H](O[C@H]2O1)C(=O)N3CCOCC3)O)C
InChIKey
ZHDDJWFZDNKWIC-REIXXSIJSA-N
InChI
InChI=1S/C12H19NO6/c1-12(2)18-9-7(14)8(17-11(9)19-12)10(15)13-3-5-16-6-4-13/h7-9,11,14H,3-6H2,1-2H3/t7-,8-,9+,11+/m1/s1

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Names and synonyms

1 names
  • D-Xylo-pentodialdo-5,2-furanose, 4,5-O-(1-methylethylidene)-1-C-4-morpholinyl-,(5S)-

Work with ((3As,5r,6s,6as)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)(morpholino)methanone

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

1,2-O-Isopropylidene-A-L-xylofuranose114861-22-244 % similar 1,2-O-Isopropylidene-α-D-xylofuranose20031-21-444 % similar 1,2-O-Isopropylidene-α-D-glucofuranose18549-40-142 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-641 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-341 % similar Diacetone-D-glucose582-52-541 % similar 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-634 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose2847-00-933 % similar

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

Elsewhere

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