CAS 20880-92-6 | β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)- | CAS Number 20880-92-6

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20880-92-6 | β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-

CAS No: 20880-92-6 Catalog No: AG002JWI MDL No:MFCD00022183

Product Description

Catalog Number:

AG002JWI

Chemical Name:

β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-

CAS Number:

20880-92-6

Molecular Formula:

C12H20O6

Molecular Weight:

260.2836

MDL Number:

MFCD00022183

IUPAC Name:

[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol

InChI:

InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1

InChI Key:

PSSHGMIAIUYOJF-XBWDGYHZSA-N

SMILES:

OC[C@]12OC[C@@H]3[C@H]([C@@H]2OC(O1)(C)C)OC(O3)(C)C

EC Number:

606-663-8

UNII:

SQ9F5005S8

Properties

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.286g/mol

Monoisotopic Mass:

260.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3

Literature

Title	Journal
Synthesis and X-ray structures of sulfate esters of fructose and its isopropylidene derivatives. Part 1: 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose 1-sulfate and 4,5-O-isopropylidene-beta-D-fructopyranose 1-sulfate.	Carbohydrate research 20020430