(2S)-4-(Acetyloxy)-1,3-dioxolane-2-methanol Benzoate - CAS 214273-21-9

Catalog:	BB075419
Product Name:	(2S)-4-(Acetyloxy)-1,3-dioxolane-2-methanol Benzoate
CAS:	214273-21-9
Synonyms:	Benzoic acid(S)-4-acetoxy-[1,3]dioxolan-2-ylmethyl ester; 1,3-Dioxolane-2-methanol, 4-(acetyloxy)-, 2-benzoate, (2S)-; Benzoic acid 4(R,S)-acetoxy-[1,3]dioxolan- 2(S)-ylmethyl ester

Technical Data

IUPAC Name:	[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl benzoate
Description:	(2S)-4-(Acetyloxy)-1,3-dioxolane-2-methanol Benzoate is an intermediate used in the synthesis of Troxacitabine (T805580), which is a nucleoside analogue with potential anticancer activity. Troxacitabine have been studied in patients with refractory lymphoproliferative diseases.
Molecular Weight:	266.25
Molecular Formula:	C13H14O6
Canonical SMILES:	CC(=O)OC1COC(O1)COC(=O)C2=CC=CC=C2
InChI:	InChI=1S/C13H14O6/c1-9(14)18-12-8-16-11(19-12)7-17-13(15)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3/t11-,12?/m0/s1
InChI Key:	HZFOOXNVWXVDJP-PXYINDEMSA-N

Complexity:	323
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	266.07903816
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	266.07903816
Rotatable Bond Count:	6
Topological Polar Surface Area:	71.1Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5