Rel-(5R,6S)-6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol
Properties
- Molecular formula
- C7H15NO3
- Molar mass
- 161.20 g/mol
- Exact mass
- 161.1052 Da
- logP
- -0.54Crippen estimate
- Polar surface area
- 64.7 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 0
- Stereocentres
- S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
79944-37-9SMILES
CC1(C)OC[C@H](N)[C@@H](O)CO1InChIKey
BXRMFUZPBYHYSM-IOMOGOHMNA-NInChI
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-/s2Weigh it out
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
Similar compounds
(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-447 % similar
(2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-542 % similar
4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane57280-22-541 % similar
(3S,4S)-3-Aminotetrahydro-2H-pyran-4-ol1240390-32-241 % similar
trans-4-Aminotetrahydropyran-3-ol215940-92-441 % similar
1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-339 % similar
(4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-538 % similar
4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane5754-34-738 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.