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GDIMBOA

CAT: 0931-T125731-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125731-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155835-54-4
Target
Others
Related Pathways
Others
Bioactivity
GDIMBOA is a useful organic compound for research related to life sciences. The catalog number is T125731 and the CAS number is 155835-54-4.
Smiles
OC[C@H]1O[C@@H](O[C@@H]2Oc3ccccc3N(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C14H17NO9
Molecular Weight
343.288
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DIBOA beta-D-glucoside

DIBOA beta-D-glucoside is a beta-D-glucoside having (R)-2,4-dihydroxy-2H-1,4-benzoxazin-3(4H)-one as the anomeric substituent. It is functionally related to a DIBOA.

CAS Number155835-54-4
PubChem CID10925943
IUPAC Name(2R)-4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Molecular FormulaC14H17NO9
Molecular Weight343.29
XLogP-1.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity464
SMILES
C1=CC=C2C(=C1)N(C(=O)[C@H](O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14-/m1/s1
InChIKey
OUSLYTBGQGKTME-TWTZXXGESA-N
Chemical Structure
2D Structure
2D structure of DIBOA beta-D-glucoside
CAS: 155835-54-4
CID: 10925943
Formula: C14H17NO9
MW: 343.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.29
XLogP3-1.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass343.09033112
Monoisotopic Mass343.09033112
Topological Polar Surface Area149 Ų
Heavy Atom Count24
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19228204-01GDIMBOA

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