(3S,4S)-3-Aminotetrahydro-2H-pyran-4-ol

C5H11NO2CAS 1240390-32-2117.15 g/mol

Open in Covalent MOL file
H2NOHO
AlcoholEtherPrimary amine

Properties

Molecular formula
C5H11NO2
Molar mass
117.15 g/mol
Exact mass
117.0790 Da
logP
-0.91Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0
Stereocentres
S, Sin 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
1240390-32-2
SMILES
N[C@H]1COCC[C@@H]1O
InChIKey
KUCSFTQJADYIQH-WHFBIAKZSA-N
InChI
InChI=1S/C5H11NO2/c6-4-3-8-2-1-5(4)7/h4-5,7H,1-3,6H2/t4-,5-/m0/s1

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Names and synonyms

2 names
  • L-Threo-Pentitol, 2-amino-1,5-anhydro-2,4-dideoxy-
  • 2-Amino-1,5-anhydro-2,4-dideoxy-L-threo-pentitol

Work with (3S,4S)-3-Aminotetrahydro-2H-pyran-4-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

Similar compounds

(S)-3-Aminotetrahydrofuran104530-79-248 % similar (R)-3-Aminotetrahydrofuran111769-26-748 % similar Oxolan-3-amine88675-24-548 % similar 2-Aminocyclohexanol6850-38-046 % similar 2-Amino cyclopentanol89381-13-546 % similar (1R,2R)-2-Aminocyclohexanol931-16-846 % similar (R)-Tetrahydrofuran-3-amine hydrochloride1072015-52-143 % similar (3S)-Oxolan-3-amine hydrochloride204512-95-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Trimethylglycine107-43-7 Isoamyl nitrite110-46-3 (R)-2-Hydroxymethylmorpholine156925-22-3 N,N-Dimethyl-1,3-dioxolan-2-amine19449-26-4 D-Norvaline2013-12-9 trans-4-Aminotetrahydropyran-3-ol215940-92-4 Alpha-(Methylamino)isobutyric acid2566-34-9 D-Isovaline3059-97-0

Elsewhere

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