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Home > Nitro Compounds > 70622-80-9
70622-80-9 | 2-Methoxy-4-(2-nitrovinyl)phenyl β-D-glucopyranoside
CAS No: 70622-80-9 Catalog No: AG005HQ3 MDL No:
Product Description
Catalog Number:
AG005HQ3
Chemical Name:
2-Methoxy-4-(2-nitrovinyl)phenyl β-D-glucopyranoside
CAS Number:
70622-80-9
Molecular Formula:
C15H19NO9
Molecular Weight:
357.3127
IUPAC Name:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methoxy-5-[(E)-2-nitroethenyl]phenoxy]oxane-3,4,5-triol
InChI:
InChI=1S/C15H19NO9/c1-23-9-3-2-8(4-5-16(21)22)6-10(9)24-15-14(20)13(19)12(18)11(7-17)25-15/h2-6,11-15,17-20H,7H2,1H3/b5-4+/t11-,12-,13+,14-,15-/m1/s1
InChI Key:
ORWGFRNUGSRRBP-HTTKMGQHSA-N
SMILES:
OCC1OC(Oc2ccc(cc2OC)C=C[N+](=O)[O-])C(C(C1O)O)O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
1
Exact Mass:
357.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
357.315g/mol
Monoisotopic Mass:
357.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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