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Home > Nitro Compounds > 188745-01-9
188745-01-9 | 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-(4-nitrophenyl)-, (2R,3R,4S,5S)-
CAS No: 188745-01-9 Catalog No: AG002H9L MDL No:
Product Description
Catalog Number:
AG002H9L
Chemical Name:
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-(4-nitrophenyl)-, (2R,3R,4S,5S)-
CAS Number:
188745-01-9
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
IUPAC Name:
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-(4-nitrophenyl)pyrrolidine-3,4-diol
InChI:
InChI=1S/C11H14N2O5/c14-5-8-10(15)11(16)9(12-8)6-1-3-7(4-2-6)13(17)18/h1-4,8-12,14-16H,5H2/t8-,9-,10-,11-/m0/s1
InChI Key:
IPFATKZDQOYWCL-NAKRPEOUSA-N
SMILES:
OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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