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Indole-3-acetyl β-D-Glucopyranose

CAT: 0024-sc-211640Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-211640Size:2.5 mg
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CAS Number
19817-95-9

Chemical Information

1-O-(indol-3-ylacetyl)-beta-D-glucose

1-O-(indol-3-ylacetyl)-beta-D-glucose is an indolyl carbohydrate and an indoleacetic acid ester conjugate. It is functionally related to a beta-D-glucose.

CAS Number19817-95-9
PubChem CID440255
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)acetate
Molecular FormulaC16H19NO7
Molecular Weight337.32
XLogP-0.3
Topological Polar Surface Area132
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity448
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H19NO7/c18-7-11-13(20)14(21)15(22)16(23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2/t11-,13-,14+,15-,16+/m1/s1
InChIKey
HHDMMUWDSFASNB-JZYAIQKZSA-N
Chemical Structure
2D Structure
2D structure of 1-O-(indol-3-ylacetyl)-beta-D-glucose
CAS: 19817-95-9
CID: 440255
Formula: C16H19NO7
MW: 337.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.32
XLogP3-0.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass337.11615195
Monoisotopic Mass337.11615195
Topological Polar Surface Area132 Ų
Heavy Atom Count24
Formal Charge0
Complexity448
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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HY-N13014-01Indole-3-acetyl β-D-glucopyranose
TRC-I627020-2.5MGIndole-3-acetyl Beta-D-Glucopyranose
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