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Home > Nitro Compounds > 81846-60-8
81846-60-8 | b-D-Glucopyranosyl nitromethane
CAS No: 81846-60-8 Catalog No: AG0050BW MDL No:MFCD08703736
Product Description
Catalog Number:
AG0050BW
Chemical Name:
b-D-Glucopyranosyl nitromethane
CAS Number:
81846-60-8
Molecular Formula:
C7H13NO7
Molecular Weight:
223.1806
MDL Number:
MFCD08703736
IUPAC Name:
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(nitromethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C7H13NO7/c9-2-4-6(11)7(12)5(10)3(15-4)1-8(13)14/h3-7,9-12H,1-2H2/t3-,4+,5-,6+,7+/m0/s1
InChI Key:
CNILFIXWGGSLAQ-PJEQPVAWSA-N
SMILES:
OC[C@H]1O[C@@H](C[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
223.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
223.181g/mol
Monoisotopic Mass:
223.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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