Home Carbonyls Acetic acid, [[(3aR,4S,6R,6aS)-tetrahydro-2,2-diMethyl-6-[[(phenylMethoxy)carbonyl]aMino]-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl ester

Acetic acid, [[(3aR,4S,6R,6aS)-tetrahydro-2,2-diMethyl-6-[[(phenylMethoxy)carbonyl]aMino]-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl ester

CAS No.:
866551-95-3
Catalog Number:
AG00GU0L
Molecular Formula:
C20H27NO7
Molecular Weight:
393.4309
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Product Description
Catalog Number:
AG00GU0L
Chemical Name:
Acetic acid, [[(3aR,4S,6R,6aS)-tetrahydro-2,2-diMethyl-6-[[(phenylMethoxy)carbonyl]aMino]-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl ester
CAS Number:
866551-95-3
Molecular Formula:
C20H27NO7
Molecular Weight:
393.4309
MDL Number:
MFCD28167874
IUPAC Name:
ethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate
InChI:
InChI=1S/C20H27NO7/c1-4-24-16(22)12-25-15-10-14(17-18(15)28-20(2,3)27-17)21-19(23)26-11-13-8-6-5-7-9-13/h5-9,14-15,17-18H,4,10-12H2,1-3H3,(H,21,23)/t14-,15+,17+,18-/m1/s1
InChI Key:
LMOJGNUNTMQCBQ-MXSMSXNCSA-N
SMILES:
CCOC(=O)CO[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
547  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
393.179g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
393.436g/mol
Monoisotopic Mass:
393.179g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties