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Adonivernithol

CAT: 0013-GTR19227605-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227605-01Size:1 mg
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Description
Adonivernithol (CAS 11003-05-7) is a small molecule research chemical used in life science studies. It serves as a reference standard and experimental tool in biochemical research, applicable for both in vitro and in vivo experimental models.
CAS Number
11003-05-7
Smiles
OC[C@H]1O[C@H] ([C@H] (O[C@@H]2OC[C@@H] (O) [C@H] (O) [C@H]2O) [C@@H] (O) [C@@H]1O) c1c (O) cc (O) c2c1oc (cc2=O) -c1ccc (O) c (O) c1
Molecular Formula
C26H28O15
Molecular Weight
580.495
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adonivernith
CAS Number11003-05-7
PubChem CID15596598
IUPAC Name8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular FormulaC26H28O15
Molecular Weight580.5
XLogP-1.7
Topological Polar Surface Area256
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity963
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C26H28O15/c27-6-16-20(35)21(36)25(41-26-22(37)19(34)14(33)7-38-26)24(40-16)18-12(31)4-11(30)17-13(32)5-15(39-23(17)18)8-1-2-9(28)10(29)3-8/h1-5,14,16,19-22,24-31,33-37H,6-7H2/t14-,16-,19+,20-,21+,22-,24+,25-,26+/m1/s1
InChIKey
RQLWDYSEFWBFBP-HFSMFUKASA-N
Chemical Structure
2D Structure
2D structure of Adonivernith
CAS: 11003-05-7
CID: 15596598
Formula: C26H28O15
MW: 580.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.5
XLogP3-1.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Exact Mass580.14282018
Monoisotopic Mass580.14282018
Topological Polar Surface Area256 Ų
Heavy Atom Count41
Formal Charge0
Complexity963
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T126412-01Adonivernithol

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