(3R,4R)-tert-Butyl 3-Hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate - CAS 635319-09-4

Catalog:	BB055320
Product Name:	(3R,4R)-tert-Butyl 3-Hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS:	635319-09-4
Synonyms:	(3R,4R)-1,1-Dimethylethyl Ester 3-Hydroxy-4-(hydroxymethyl)-1-pyrrolidinecarboxylic Acid

Technical Data

IUPAC Name:	tert-butyl (3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate
Description:	(3R,4R)-tert-Butyl 3-Hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate has been used as a reactant for the preparation of transition state analogue inhibitors of human 5'-Methylthioadenosine phosphorylase (MTAP).
Molecular Weight:	217.26
Molecular Formula:	C10H19NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C(C1)O)CO
InChI:	InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-4-7(6-12)8(13)5-11/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m1/s1
InChI Key:	BSTWKRUNXOFBPE-SFYZADRCSA-N

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	217.13140809
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.13140809
Rotatable Bond Count:	3
Topological Polar Surface Area:	70Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4