Rel-(5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-ol

C₇H₁₅NO₃CAS 79944-37-9161.20 g/mol

Open in Covalent MOL file

Alcohol Primary Amine

Properties

Molecular formula: C₇H₁₅NO₃
Molar mass: 161.20 g/mol
Exact mass: 161.1052 Da
logP: -0.54Crippen estimate
Polar surface area: 64.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Identifiers

CAS number

79944-37-9

SMILES

CC1(C)OC[C@H](N)[C@@H](O)CO1

InChIKey

BXRMFUZPBYHYSM-IOMOGOHMNA-N

InChI

InChI=1/C7H15NO3/c1-7(2)10-3-5(8)6(9)4-11-7/h5-6,9H,3-4,8H2,1-2H3/t5-,6-/s2

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

Names and synonyms

2 names

1,3-Dioxepan-5-ol, 6-amino-2,2-dimethyl-, (5R,6S)-rel-
1,3-Dioxepan-5-ol, 6-amino-2,2-dimethyl-, trans-

Work with Rel-(5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-ol

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

Same formula

O-(1,1-Dimethylethyl)-D-serine18783-53-4 O-(1,1-Dimethylethyl)-L-serine18822-58-7 (±)-Carnitine461-06-3 (+)-Carnitine541-14-0 (-)-Carnitine541-15-1

Elsewhere

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