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Home > Nitro Compounds > 114102-89-5
114102-89-5 | β-D-Galactopyranoside, 2-nitrophenyl 6-O-(triphenylmethyl)-
CAS No: 114102-89-5 Catalog No: AG000AKV MDL No:MFCD03701222
Product Description
Catalog Number:
AG000AKV
Chemical Name:
β-D-Galactopyranoside, 2-nitrophenyl 6-O-(triphenylmethyl)-
CAS Number:
114102-89-5
Molecular Formula:
C31H29NO8
Molecular Weight:
543.5639
MDL Number:
MFCD03701222
IUPAC Name:
(2S,3R,4S,5R,6R)-2-(2-nitrophenoxy)-6-(trityloxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C31H29NO8/c33-27-26(40-30(29(35)28(27)34)39-25-19-11-10-18-24(25)32(36)37)20-38-31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,26-30,33-35H,20H2/t26-,27+,28+,29-,30-/m1/s1
InChI Key:
SUCAEOBOBJPBKG-HBMYTODVSA-N
SMILES:
O[C@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]([C@H]1O)O)Oc1ccccc1[N+](=O)[O-]
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
543.189g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
543.572g/mol
Monoisotopic Mass:
543.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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