3,4-O-Isopropylidene-D-mannitol

C₉H₁₈O₆CAS 3969-84-4222.24 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₉H₁₈O₆
Molar mass: 222.24 g/mol
Exact mass: 222.1103 Da
logP: -1.79Crippen estimate
Polar surface area: 99.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 4
Stereocentres: R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3969-84-4

SMILES

CC1(O[C@@H]([C@H](O1)[C@@H](CO)O)[C@@H](CO)O)C

InChIKey

YCOMFYACDCWMMD-WCTZXXKLSA-N

InChI

InChI=1S/C9H18O6/c1-9(2)14-7(5(12)3-10)8(15-9)6(13)4-11/h5-8,10-13H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1

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Work with 3,4-O-Isopropylidene-D-mannitol

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-O-Isopropylidene-α-D-glucofuranose18549-40-166 % similar (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-455 % similar (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol50622-09-854 % similar (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol73346-74-454 % similar 1,2-O-Isopropylidene-A-L-xylofuranose114861-22-250 % similar 1,2-O-Isopropylidene-α-D-xylofuranose20031-21-450 % similar 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-648 % similar Methyl 2,3-O-(1-methylethylidene)-β-D-ribofuranoside4099-85-846 % similar

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

Same formula

2,5,8,11-Tetraoxatridecan-13-oic acid16024-60-5

Elsewhere

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