Conduritol B epoxide

C₆H₁₀O₅CAS 6090-95-5162.14 g/mol

Open in Covalent MOL file

Alcohol Epoxide Ether

Properties

Molecular formula: C₆H₁₀O₅
Molar mass: 162.14 g/mol
Exact mass: 162.0528 Da
Melting point: 154–155 °C
logP: -2.79Crippen estimate
Polar surface area: 93.5 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 0
Stereocentres: S, S, R, S, R, Rin 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

6090-95-5

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2[C@@H]1O

InChIKey

ZHMWOVGZCINIHW-NKUXGYIMNA-N

InChI

InChI=1/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/s2

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

Names and synonyms

4 names

Myo-Inositol, 1,2-anhydro-
Inositol, 1,2-anhydro-, myo-
DL-myo-Inositol, 1,2-anhydro-
1,2-Anhydro-myo-inositol

Work with Conduritol B epoxide

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

Pinitol10284-63-650 % similar Scyllo-Inositol488-59-550 % similar Sequoyitol523-92-250 % similar Quebrachitol642-38-650 % similar 1D-Chiro-inositol643-12-950 % similar Hexahydroxycyclohexane6917-35-750 % similar Inositol87-89-850 % similar α-Cyclodextrin10016-20-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl pyrocarbonate1609-47-8 Dimethyl malate38115-87-6 2-C-Methyl-D-ribono-1,4-lactone492-30-8 Levoglucosan498-07-7 1,3-Dimethyl 2-methoxypropanedioate5018-30-4 3-Hydroxy-3-methylglutaric acid503-49-1 1,3,5-Benzenetriol, hydrate (1:2)6099-90-7 (S)-(-)-Dimethyl malate617-55-0

Elsewhere

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