2,3-O-(1-Methylethylidene)pentofuranosylamine 4-Methylbenzenesulfonate - CAS 1172608-04-6

Catalog:	BB059714
Product Name:	2,3-O-(1-Methylethylidene)pentofuranosylamine 4-Methylbenzenesulfonate
CAS:	1172608-04-6
Synonyms:	(6-Amino-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol 4-methylbenzenesulfonate;4-Methylbenzene-1-sulfonic acid--2,3-O-(1-methylethylidene)pentofuranosylamine (1/1)

Technical Data

Related CAS:	51172-55-5
IUPAC Name:	(4-amino-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methanol4-methylbenzenesulfonic acid
Description:	2,3-O-(1-Methylethylidene)pentofuranosylamine 4-Methylbenzenesulfonate is an intermediate in the synthesis of ribonucleotide derivative used in a substrate specificity study of glycinamide ribonucleotide synthetase and transformylase.
Molecular Weight:	361.41
Molecular Formula:	C15H23NO7S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)O.CC1(OC2C(OC(C2O1)N)CO)C
InChI:	InChI=1S/C8H15NO4.C7H8O3S/c1-8(2)12-5-4(3-10)11-7(9)6(5)13-81-6-2-4-7(5-3-6)11(8,9)10/h4-7,10H,3,9H2,1-2H32-5H,1H3,(H,8,9,10)
InChI Key:	PMPFITJXVRJPKJ-UHFFFAOYSA-N
Solubility:	Water
Appearance:	White Solid
References:	Antle, V.D. et al. J. Biol. Chem., 271, 8192 (1996); Caperelli, C.A. et al. Arch. Biochem. Biophys., 341, 98 (1997).

Complexity:	415
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	361.11952325
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	361.11952325
Rotatable Bond Count:	2
Topological Polar Surface Area:	137Å²
Undefined Atom Stereocenter Count:	4
Undefined Bond Stereocenter Count:	0