(2S,3R)-2-Hydroxy-3-methyl-butanedioic Acid Dimethyl Ester - CAS 73890-17-2

Catalog:	BB061045
Product Name:	(2S,3R)-2-Hydroxy-3-methyl-butanedioic Acid Dimethyl Ester
CAS:	73890-17-2
Synonyms:	[S-(R,S)]-2-Hydroxy-3-methyl-butanedioic Acid Dimethyl Ester

Technical Data

IUPAC Name:	dimethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
Description:	(2S,3R)-2-Hydroxy-3-methyl-butanedioic Acid Dimethyl Ester is an intermediate in synthesizing 5-Methyl-2'-deoxy Cytidine-13C,15N2 (M295904). It is an isotopic analog of 5-Methyl-2'-deoxy Cytidine (M295900), a Cytidine (C998300) analog and also an isostere of Thymidine (T412000).
Molecular Weight:	176.17
Molecular Formula:	C7H12O5
Canonical SMILES:	CC(C(C(=O)OC)O)C(=O)OC
InChI:	InChI=1S/C7H12O5/c1-4(6(9)11-2)5(8)7(10)12-3/h4-5,8H,1-3H3/t4-,5+/m1/s1
InChI Key:	RUUHUDXJDHEPBZ-UHNVWZDZSA-N
Solubility:	Dichloromethane
Appearance:	Colorless Oil
References:	Sabini, E., et al. J. Med. Chem., 51, 4219 (2008), Sabini, E., et al. J. Mol. Biol., 378, 607 (2008).

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	176.06847348
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.06847348
Rotatable Bond Count:	5
Topological Polar Surface Area:	72.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1