Home Other Building Blocks β-D-Glucopyranoside, 1-naphthalenyl

β-D-Glucopyranoside, 1-naphthalenyl

CAS No.:
19939-82-3
Catalog Number:
AG002C3J
Molecular Formula:
C16H18O6
Molecular Weight:
306.3105
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Product Description
Catalog Number:
AG002C3J
Chemical Name:
β-D-Glucopyranoside, 1-naphthalenyl
CAS Number:
19939-82-3
Molecular Formula:
C16H18O6
Molecular Weight:
306.3105
MDL Number:
MFCD00046390
IUPAC Name:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
InChI:
InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2/t12-,13-,14+,15-,16-/m1/s1
InChI Key:
CVAOQMBKGUKOIZ-IBEHDNSVSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cccc3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O
EC Number:
243-434-8
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
306.11g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
306.314g/mol
Monoisotopic Mass:
306.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Malonylation is a key reaction in the metabolism of xenobiotic phenolic glucosides in Arabidopsis and tobacco. The Plant journal : for cell and molecular biology 20100901
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