2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic Acid - CAS 1330763-18-2

Catalog:	BB059526
Product Name:	2-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic Acid
CAS:	1330763-18-2
Synonyms:	1,4:3,6-Dianhydro-D-glucitol; Furo[3,2-b]furan, D-glucitol derivative; (+)-D-Isosorbide; 1,4:3,6-Dianhydro-D-sorbitol; 1,4:3,6-Dianhydrosorbitol; AT 101; Addolink 0312; Devicoran; Hydronol; Ismotic; Isobide; Isosorbide; Isosorbitol; NSC 40725; Novosorb P; Polysorb; Polysorb P; Polysorb PB; Polysorb PBA; Polysorb PS

Technical Data

IUPAC Name:	5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid
Description:	2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azabicyclo[2.2.1]heptane-4-carboxylic acid(cas# 1330763-18-2) is a useful reagent in the synthesis of 5- tertbutyloxycarbonyl- 2- oxa- 5- diazabicyclo[2.2.1] heptane- 1- carboxylic acid.
Molecular Weight:	243.25
Molecular Formula:	C11H17NO5
Canonical SMILES:	CC(C)(C)OC(=O)N1CC2(CC1CO2)C(=O)O
InChI:	InChI=1S/C11H17NO5/c1-10(2,3)17-9(15)12-6-11(8(13)14)4-7(12)5-16-11/h7H,4-6H2,1-3H3,(H,13,14)
InChI Key:	GJLSXXFQRXNEFA-UHFFFAOYSA-N
References:	Liu, Y., et al. From Faming Zhuanli Shenqing (2016), CN 105503891 A 20160420.

Complexity:	361
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.11067264
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.11067264
Rotatable Bond Count:	3
Topological Polar Surface Area:	76.1Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4