(2R)-1,2,4-Butanetriol

C₄H₁₀O₃CAS 70005-88-8106.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₃
Molar mass: 106.12 g/mol
Exact mass: 106.0630 Da
logP: -1.28Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

70005-88-8

SMILES

OCC[C@@H](O)CO

InChIKey

ARXKVVRQIIOZGF-SCSAIBSYSA-N

InChI

InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1

Weigh it out

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

Names and synonyms

6 names

1,2,4-Butanetriol, (2R)-
1,2,4-Butanetriol, (R)-
(R)-(+)-1,2,4-Butanetriol
(+)-1,2,4-Butanetriol
(R)-Butane-1,2,4-triol
(2R)-Butane-1,2,4-triol

Work with (2R)-1,2,4-Butanetriol

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

1,2,6-Hexanetriol106-69-467 % similar Polyglycerol25618-55-759 % similar Glycerol56-81-559 % similar 1,2-Pentanediol5343-92-055 % similar 1,2-Hexanediol6920-22-550 % similar 1,2-Octanediol1117-86-846 % similar 1,2-Decanediol1119-86-446 % similar 1,2-Dodecanediol1119-87-546 % similar

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

Same formula

Diethylene glycol111-46-6 Trimethyl orthoformate149-73-5 1,2,4-Butanetriol3068-00-6 2,2-Dimethoxyethanol30934-97-5 3-Methoxy-1,2-propanediol36887-04-4 (-)-1,2,4-Butanetriol42890-76-6 2-(Hydroxymethyl)-1,3-propanediol4704-94-3 3-Methoxy-1,2-propanediol623-39-2

Elsewhere

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