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Mannitol,2,3:4,5-dianhydro-1,6-dideoxy- 2-methyl-3-(3-methyloxiran-2-yl)oxirane 51153-45-8
Identification and Related Records
【Name】
Mannitol,2,3:4,5-dianhydro-1,6-dideoxy-
【CAS Registry number】
51153-45-8
【Synonyms】
DL-Mannitol,2,3:4,5-dianhydro-1,6-dideoxy-
NSC 173125
【Molecular Formula】
C6H10 O2 (Products with the same molecular formula)
【Molecular Weight】
114.1424
【Inchi】
InChI=1S/C6H10O2/c1-3-5(7-3)6-4(2)8-6/h3-6H,1-2H3
【Canonical SMILES】
CC1C(O1)C2C(O2)C
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:114.1424 [g/mol]
Molecular Formula:C6H10O2
XLogP3-AA:0.5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:114.06808
MonoIsotopic Mass:114.06808
Topological Polar Surface Area:25.1
Heavy Atom Count:8
Formal Charge:0
Complexity:99.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Effective Rotor Count:2.2
Conformer Sampling RMSD:0.4
CID Conformer Count:29
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