200,000+ products from a single source!
sales@angenechem.com
145452-02-4 | 3H,5H-Pyrrolo[1,2-c]oxazol-5-one, tetrahydro-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-(1-methylethyl)-, [1S-(1α,6α,7α,7aα)]- (9CI)
CAS No: 145452-02-4 Catalog No: AG001D21 MDL No:
Product Description
Catalog Number:
AG001D21
Chemical Name:
3H,5H-Pyrrolo[1,2-c]oxazol-5-one, tetrahydro-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-(1-methylethyl)-, [1S-(1α,6α,7α,7aα)]- (9CI)
CAS Number:
145452-02-4
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
IUPAC Name:
(1S,6R,7S,7aS)-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
InChI:
InChI=1S/C11H19NO4/c1-6(2)9-11(4-13)8(14)7(3)10(15)12(11)5-16-9/h6-9,13-14H,4-5H2,1-3H3/t7-,8+,9+,11+/m1/s1
InChI Key:
WSCSAVPTKSPACL-HJGDQZAQSA-N
SMILES:
OC[C@]12[C@@H](OCN1C(=O)[C@@H]([C@@H]2O)C)C(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.