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Home > Fluorides > 130674-54-3
130674-54-3 | D-Allothreonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 130674-54-3 Catalog No: AG000URT MDL No:MFCD01318738
Product Description
Catalog Number:
AG000URT
Chemical Name:
D-Allothreonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
130674-54-3
Molecular Formula:
C19H19NO5
Molecular Weight:
341.3579
MDL Number:
MFCD01318738
IUPAC Name:
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
InChI:
InChI=1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17-/m1/s1
InChI Key:
OYULCCKKLJPNPU-PIGZYNQJSA-N
SMILES:
O=C(N[C@@H](C(=O)O)[C@H](O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
341.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.363g/mol
Monoisotopic Mass:
341.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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