Products for Research Use Only
RegisterLogin

Coatline B

CAT: 0013-GTR19229813-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19229813-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Coatline B (CAS 87441-89-2) is a valuable small molecule research compound. It is utilized in life sciences research, including in vitro studies to investigate cellular mechanisms and in vivo models for preclinical pharmacological evaluation.
CAS Number
87441-89-2
Smiles
OC[C@H]1O[C@H] ([C@H] (O) [C@@H] (O) [C@@H]1O) c1c (O) ccc (C (=O) [C@H] (O) Cc2ccc (O) c (O) c2) c1O
Molecular Formula
C21H24O11
Molecular Weight
452.412
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Coatline B

Coatline B has been reported in Eysenhardtia polystachya with data available.

CAS Number87441-89-2
PubChem CID38362081
IUPAC Name(2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxypropan-1-one
Molecular FormulaC21H24O11
Molecular Weight452.4
XLogP-0.4
Topological Polar Surface Area208
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity633
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)C2=C(C(=C(C=C2)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C21H24O11/c22-7-14-18(29)19(30)20(31)21(32-14)15-11(24)4-2-9(17(15)28)16(27)13(26)6-8-1-3-10(23)12(25)5-8/h1-5,13-14,18-26,28-31H,6-7H2/t13-,14-,18-,19+,20-,21+/m1/s1
InChIKey
LNVWGAALAQOWHF-IUOSPEFCSA-N
Chemical Structure
2D Structure
2D structure of Coatline B
CAS: 87441-89-2
CID: 38362081
Formula: C21H24O11
MW: 452.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.4
XLogP3-0.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass452.13186158
Monoisotopic Mass452.13186158
Topological Polar Surface Area208 Ų
Heavy Atom Count32
Formal Charge0
Complexity633
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

Related Products

CatalogName
GTR19229802-01Coatline A
GTR19319500Influenza B (B/Malaysia)
GTR19009424Asialog. GM2, B.b.
GTR19009421Asialog. GM1, B.b.
GTR19009419Monosialog. GM1, B.b.
GTR19009408Disialog. GD1b, B.b.
GTR19009429Trisialog. GT1b, B.b.
GTR19009427Trisialog. GT1a, B.b.
GTR19009413Monosialog. GM4, B.b.
GTR19009404Disialog. GD3, B.b.

Alternative Products

CatalogName
T124031-01Coatline A
T124030-01Coatline B

Popular Products