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Indoxyl-Beta-D-glucoside

CAT: 0572-TRC-I654110-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I654110-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
487-60-5
Synonyms
1H-Indol-3-yl beta-D-glucopyranoside; 3-(Glucosyloxy)indole; Indican (Glucoside); NSC 87517; Uroxanthin
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C14H17NO6
Molecular Weight
295.29
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Indoxyl-beta-D-glucoside

Indican is a beta-D-glucoside, an indolyl carbohydrate and an exopolysaccharide.

CAS Number487-60-5
PubChem CID441564
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
Molecular FormulaC14H17NO6
Molecular Weight295.29
XLogP-0.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity356
SMILES
C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
XVARCVCWNFACQC-RKQHYHRCSA-N
Chemical Structure
2D Structure
2D structure of Indoxyl-beta-D-glucoside
CAS: 487-60-5
CID: 441564
Formula: C14H17NO6
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP3-0.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass295.10558726
Monoisotopic Mass295.10558726
Topological Polar Surface Area115 Ų
Heavy Atom Count21
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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