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14686-88-5 | α-D-erythro-Hex-3-enofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-acetate
CAS No: 14686-88-5 Catalog No: AG001EEZ MDL No:
Product Description
Catalog Number:
AG001EEZ
Chemical Name:
α-D-erythro-Hex-3-enofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-acetate
CAS Number:
14686-88-5
Molecular Formula:
C14H20O7
Molecular Weight:
300.3044
IUPAC Name:
[(3aR,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
InChI:
InChI=1S/C14H20O7/c1-7(15)17-10-9(8-6-16-13(2,3)19-8)18-12-11(10)20-14(4,5)21-12/h8,11-12H,6H2,1-5H3/t8-,11-,12-/m1/s1
InChI Key:
AOIUJMXBARBXRG-GGZOMVNGSA-N
SMILES:
CC(=O)OC1=C(O[C@H]2C1OC(O2)(C)C)C1COC(O1)(C)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
300.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.307g/mol
Monoisotopic Mass:
300.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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