N-((3Ar,4S,7S,8R,8ar)-4-(hydroxymethyl)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-D]oxepin-8-yl)acetamide

C₁₂H₁₉NO₆CAS 1824718-03-7273.28 g/mol

Open in Covalent MOL file

Acetal Alcohol Amide Ether

Properties

Molecular formula: C₁₂H₁₉NO₆
Molar mass: 273.28 g/mol
Exact mass: 273.1212 Da
logP: -0.87Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 2
Stereocentres: R, R, R, S, 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

1824718-03-7

SMILES

CC(=O)N[C@@H]1[C@@H]2[C@H]([C@@]3(CO[C@H]1O3)CO)OC(O2)(C)C

InChIKey

HMTHQRMBTWVCLT-OMHSBUABSA-N

InChI

InChI=1S/C12H19NO6/c1-6(15)13-7-8-9(18-11(2,3)17-8)12(4-14)5-16-10(7)19-12/h7-10,14H,4-5H2,1-3H3,(H,13,15)/t7-,8-,9-,10+,12+/m1/s1

Weigh it out

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

Work with N-((3Ar,4S,7S,8R,8ar)-4-(hydroxymethyl)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-D]oxepin-8-yl)acetamide

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

4-C-(Hydroxymethyl)-1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-erythro-pentofuranose63593-03-339 % similar 1,2-O-(1-Methylethylidene)-4-c-[(phenylmethoxy)methyl]-3-o-(phenylmethyl)--l-lyxofuranose153186-10-839 % similar 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose20880-92-633 % similar Methyl-2-acetamido-2-deoxy-D-glucopyranoside6082-04-831 % similar Diacetone L-sorbose17682-70-131 % similar D-Galactosamine pentaacetate76375-60-531 % similar

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

Same formula

((3As,5r,6s,6as)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)(morpholino)methanone1103738-19-7

Elsewhere

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