Home Carboxys Racemic-(3aS,6R,7R,7aR)-2-(tert-butoxycarbonyl)octahydro-3a,6-epoxyisoindole-7-carboxylic acid

Racemic-(3aS,6R,7R,7aR)-2-(tert-butoxycarbonyl)octahydro-3a,6-epoxyisoindole-7-carboxylic acid

CAS No.:
1445949-61-0
Catalog Number:
AG00HX3I
Molecular Formula:
C14H21NO5
Molecular Weight:
283.3202
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00HX3I
Chemical Name:
Racemic-(3aS,6R,7R,7aR)-2-(tert-butoxycarbonyl)octahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS Number:
1445949-61-0
Molecular Formula:
C14H21NO5
Molecular Weight:
283.3202
MDL Number:
MFCD28390417
IUPAC Name:
(1S,5R,6R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylic acid
InChI:
InChI=1S/C14H21NO5/c1-13(2,3)20-12(18)15-6-8-10(11(16)17)9-4-5-14(8,7-15)19-9/h8-10H,4-7H2,1-3H3,(H,16,17)/t8-,9+,10+,14+/m0/s1
InChI Key:
XNNFGFGELSPHDF-HGUJLJSRSA-N
SMILES:
OC(=O)[C@H]1[C@H]2CC[C@@]3([C@H]1CN(C3)C(=O)OC(C)(C)C)O2
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.142g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.324g/mol
Monoisotopic Mass:
283.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties