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P-Nitrophenyl β-D-laminaribioside

CAT: 0024-sc-222114Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-222114Size:1 mg
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CAS Number
26255-70-9

Chemical Information

4-Nitrophenyl 3-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
CAS Number26255-70-9
PubChem CID10695399
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC18H25NO13
Molecular Weight463.4
XLogP-2
Topological Polar Surface Area224
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity612
SMILES
C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C18H25NO13/c20-5-9-11(22)13(24)14(25)17(30-9)32-16-12(23)10(6-21)31-18(15(16)26)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12-,13+,14-,15-,16+,17+,18-/m1/s1
InChIKey
LBTDRWMZFQVCAR-GZQMJUEHSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrophenyl 3-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
CAS: 26255-70-9
CID: 10695399
Formula: C18H25NO13
MW: 463.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.4
XLogP3-2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass463.13258985
Monoisotopic Mass463.13258985
Topological Polar Surface Area224 Ų
Heavy Atom Count32
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-N503875-2MGp-Nitrophenyl Beta-D-Laminaribioside
N2594-15AP-Nitrophenyl-a-D-Laminaribioside (p-Nitrophenyl 3-O-a-Glucopyranosyl-a-glucopyranoside)
MBS6107063-01p-Nitrophenyl b-D-laminaribioside (p-Nitrophenyl 3-O-b-Glucopyranosyl-b-glucopyranoside)
N2594-15BP-Nitrophenyl b-D-laminaribioside (p-Nitrophenyl 3-O-b-Glucopyranosyl-b-glucopyranoside_x000B_)
TSW-00120-01P-Nitrophenyl β-D-lactoside
N2594-08PP-Nitrophenyl-a-D-glucopyranoside
25028-61P-Nitrophenyl-β-D-glucopyranoside
25026-81P-Nitrophenyl-α-D-galactopyranoside
TRC-N503650-500MGp-Nitrophenyl a-D-Glucopyranoside
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