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Home > Nitro Compounds > 142741-72-8
142741-72-8 | 4-Nitrophenyl-myo-inositol-1-yl phosphate
CAS No: 142741-72-8 Catalog No: AG01EGJF MDL No:
Product Description
Catalog Number:
AG01EGJF
Chemical Name:
4-Nitrophenyl-myo-inositol-1-yl phosphate
CAS Number:
142741-72-8
IUPAC Name:
azanium;(1S,2R,3S,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-[hydroxy-(4-nitrophenoxy)phosphoryl]oxycyclohexan-1-olate
InChI:
InChI=1S/C12H15NO11P.H3N/c14-7-8(15)10(17)12(11(18)9(7)16)24-25(21,22)23-6-3-1-5(2-4-6)13(19)20;/h1-4,7-12,14-17H,(H,21,22);1H3/q-1;/p+1/t7-,8-,9+,10+,11+,12-;/m1./s1
InChI Key:
JDHOSGCTUVQPRG-CZVFWDMWSA-O
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
398.073g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
398.261g/mol
Monoisotopic Mass:
398.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Electronic effect of different positions of the -NO2 group on the DNA-intercalator of chiral complexes [Ru(bpy)2L]2+ (L =o-npip, m-npip and p-npip). | Dalton transactions (Cambridge, England : 2003) 20050607 |
| Dietary exposure and urinary excretion of total N-nitroso compounds, nitrosamino acids and volatile nitrosamine in inhabitants of high- and low-risk areas for esophageal cancer in southern China. | International journal of cancer 20021120 |
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