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1-Hydroxymethyl-beta-carboline glucoside

CAT: 0931-TN2544Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2544Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1408311-12-5
Target
Others
Related Pathways
Others
Bioactivity
1-Hydroxymethyl-beta-carboline glucoside is a natural product from Picrasmae Ramulus et Folium.
Smiles
OC[C@H]1O[C@@H](OCc2nccc3c4ccccc4[nH]c23)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C18H20N2O6
Molecular Weight
360.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Hydroxymethyl-beta-carboline glucoside
CAS Number1408311-12-5
PubChem CID125181813
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(9H-pyrido[3,4-b]indol-1-ylmethoxy)oxane-3,4,5-triol
Molecular FormulaC18H20N2O6
Molecular Weight360.4
XLogP-0.1
Topological Polar Surface Area128
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity483
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C18H20N2O6/c21-7-13-15(22)16(23)17(24)18(26-13)25-8-12-14-10(5-6-19-12)9-3-1-2-4-11(9)20-14/h1-6,13,15-18,20-24H,7-8H2/t13-,15-,16+,17-,18-/m1/s1
InChIKey
UBEWCGDGCYXTEA-SOVHRIKKSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxymethyl-beta-carboline glucoside
CAS: 1408311-12-5
CID: 125181813
Formula: C18H20N2O6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP3-0.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass360.13213636
Monoisotopic Mass360.13213636
Topological Polar Surface Area128 Ų
Heavy Atom Count26
Formal Charge0
Complexity483
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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