chempirical

1,2:5,6-Di-O-isopropylidene-D-mannitol

C12H22O6CAS 1707-77-3262.30 g/mol

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AcetalAlcoholEther

Properties

Molecular formula
C12H22O6
Molar mass
262.30 g/mol
Exact mass
262.1416 Da
Melting point
122 °C
logP
0.01Crippen estimate
Polar surface area
77.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3
Stereocentres
R, S, S, 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
1707-77-3
SMILES
CC1(C)OC[C@H]([C@@H](O)[C@H](O)[C@H]2COC(C)(C)O2)O1
InChIKey
ODYBCPSCYHAGHA-ZYUZMQFOSA-N
InChI
InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1

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Names and synonyms

11 names
  • D-Mannitol, 1,2:5,6-bis-O-(1-methylethylidene)-
  • Mannitol, 1,2:5,6-di-O-isopropylidene-, D-
  • 1,2:5,6-Bis-O-(1-methylethylidene)-D-mannitol
  • D-(+)-1,2:5,6-Di-O-isopropylidenemannitol
  • Diisopropylidene mannitol
  • Mannitol diacetonide
  • D-Mannitol 1,2:5,6-bis-acetonide
  • 1,2:5,6-Diisopropylidene-D-mannitol
  • NSC 47987
  • NSC 67545
  • NSC 89874

Work with 1,2:5,6-Di-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

1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-659 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-359 % similar Diacetone-D-glucose582-52-559 % similar Diaceton-alpha-D-mannofuranose14131-84-153 % similar 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane57280-22-550 % similar Solketal100-79-848 % similar (R)-Solketal14347-78-548 % similar (+)-Solketal22323-82-648 % similar

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

Same formula

1,6-Bis(2-methoxyethyl) hexanedioate106-00-3 Dibutyl tartrate87-92-3

Elsewhere

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