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Home > Nitro Compounds > 86402-43-9
86402-43-9 | L-ribo-Hexose, 2,3,6-trideoxy-3-C-methyl-3-nitro-
CAS No: 86402-43-9 Catalog No: AG004XCQ MDL No:
Product Description
Catalog Number:
AG004XCQ
Chemical Name:
L-ribo-Hexose, 2,3,6-trideoxy-3-C-methyl-3-nitro-
CAS Number:
86402-43-9
Molecular Formula:
C7H13NO5
Molecular Weight:
191.1818
IUPAC Name:
(3R,4R,5S)-4,5-dihydroxy-3-methyl-3-nitrohexanal
InChI:
InChI=1S/C7H13NO5/c1-5(10)6(11)7(2,3-4-9)8(12)13/h4-6,10-11H,3H2,1-2H3/t5-,6-,7+/m0/s1
InChI Key:
NXLFZVUAZMYNDL-LYFYHCNISA-N
SMILES:
[O-][N+](=O)[C@@]([C@H]([C@@H](O)C)O)(CC=O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
191.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.183g/mol
Monoisotopic Mass:
191.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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