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1414958-20-5 | 3-Furancarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-, (3R,4S)-rel-
CAS No: 1414958-20-5 Catalog No: AG001GH9 MDL No:MFCD22689197
Product Description
Catalog Number:
AG001GH9
Chemical Name:
3-Furancarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-, (3R,4S)-rel-
CAS Number:
1414958-20-5
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
MDL Number:
MFCD22689197
IUPAC Name:
(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
InChI:
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7+/m1/s1
InChI Key:
FUECAVZSGQIGRI-RQJHMYQMSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1COC[C@@H]1C(=O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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