3,5-Bis-O-(1,1-dimethylethyl)dimethylsilyl)-1-O-(methanesulfonyl)-2-deoxy-2,2-difluororibose - CAS 103882-89-9

Catalog:	BB073833
Product Name:	3,5-Bis-O-(1,1-dimethylethyl)dimethylsilyl)-1-O-(methanesulfonyl)-2-deoxy-2,2-difluororibose
CAS:	103882-89-9
Synonyms:	D-erythro-Pentofuranose, 2-deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-2,2-difluoro-, 1-methanesulfonate

Technical Data

IUPAC Name:	[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
Description:	3,5-Bis-O-(1,1-dimethylethyl)dimethylsilyl)-1-O-(methanesulfonyl)-2-deoxy-2,2-difluororibose can be useful in linear synthesis of gemcitabine from deoxy-difluororibose via high yielding direct glycosyl urea formation.
Molecular Weight:	476.72
Molecular Formula:	C18H38F2O6SSi2
Canonical SMILES:	CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)OS(=O)(=O)C)(F)F)O[Si](C)(C)C(C)(C)C
InChI:	InChI=1S/C18H38F2O6SSi2/c1-16(2,3)28(8,9)23-12-13-14(26-29(10,11)17(4,5)6)18(19,20)15(24-13)25-27(7,21)22/h13-15H,12H2,1-11H3/t13-,14-,15?/m1/s1
InChI Key:	QCYNVDBDIWESER-GRKKQISMSA-N
References:	Brown, K., et al. Carbohydr. Res., 406, 71 (2015).

Complexity:	678
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	476.18956949
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	476.18956949
Rotatable Bond Count:	9
Topological Polar Surface Area:	79.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0