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4-Nitrophenyl β-D-xylobioside

CAT: 0926-EN15454-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-EN15454-01Size:1 mg
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CAS Number
6819-07-4
Synonyms
P-Nitrophenyl β-D-xylobioside
MDL Number
MFCD22124173
Smiles
O ([C@H]1[C@H] (O) [C@@H] (O) [C@H] (OC2=CC=C (N (=O) =O) C=C2) OC1) [C@H]3[C@H] (O) [C@@H] (O) [C@H] (O) CO3
Molecular Formula
C16H21NO11
Molecular Weight
403.34 g/mol
Controlled
No

Chemical Information

beta-D-xylopyranoside, 4-nitrophenyl 4-O-beta-D-xylopyranosyl-
CAS Number6819-07-4
PubChem CID644163
IUPAC Name(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(4-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol
Molecular FormulaC16H21NO11
Molecular Weight403.34
XLogP-1.9
Topological Polar Surface Area184
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity523
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)OC3=CC=C(C=C3)[N+](=O)[O-])O)O)O
InChI
InChI=1S/C16H21NO11/c18-9-5-25-16(13(21)11(9)19)28-10-6-26-15(14(22)12(10)20)27-8-3-1-7(2-4-8)17(23)24/h1-4,9-16,18-22H,5-6H2/t9-,10-,11+,12+,13-,14-,15+,16+/m1/s1
InChIKey
LPCFVCUKBNKNBF-DDJMUGOQSA-N
Chemical Structure
2D Structure
2D structure of beta-D-xylopyranoside, 4-nitrophenyl 4-O-beta-D-xylopyranosyl-
CAS: 6819-07-4
CID: 644163
Formula: C16H21NO11
MW: 403.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.34
XLogP3-1.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass403.11146049
Monoisotopic Mass403.11146049
Topological Polar Surface Area184 Ų
Heavy Atom Count28
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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258022-014-Nitrophenyl b-D-xylobioside
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