2,3:5,6-Di-O-Isopropylidene-L-gulono-1.4-lactone

Catalog	DGS7306641
CAS	7306-64-1
Structure
Synonyms	2,3:5,6-Di-O-isopropylidene-L-gulonolactone
IUPAC Name	(3aS,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
Molecular Weight	258.27
Molecular Formula	C12H18O6
InChI	InChI=1S/C12H18O6/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m0/s1
InChI Key	OFZPAXSEAVOAKB-KZVJFYERSA-N
Boiling Point	361.2±42.0 °C (Predicted)
Melting Point	147-149 °C
Purity	≥95%
Appearance	White crystalline solid
Complexity	377
Exact Mass	258.11033829
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC1(OC[C@H](O1)[C@@H]2[C@H]3[C@@H](C(=O)O2)OC(O3)(C)C)C
Monoisotopic Mass	258.11033829
Rotatable Bond Count	1
Topological Polar Surface Area	63.2 Ų
XLogP3-AA	0.5