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Atrinositol

CAT: 0931-T30203-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30203-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28841-62-5
Target
Others, FGFR
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Others
Bioactivity
Atrinositol improves energy homeostasis in a mouse model of pancreatic cancer.
Smiles
O(P(=O)(O)O)[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OP(=O)(O)O
Molecular Formula
C6H15O15P3
Molecular Weight
420.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Atrinositol

See also: alpha-Trinositol (annotation moved to).

CAS Number28841-62-5
PubChem CID65762
IUPAC Name[(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Molecular FormulaC6H15O15P3
Molecular Weight420.10
XLogP-7
Topological Polar Surface Area261
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity536
SMILES
[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
InChI
InChI=1S/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1?,2-,3+,4-,5-,6?/m1/s1
InChIKey
GKDKOMAJZATYAY-GCVPSNMTSA-N
Chemical Structure
2D Structure
2D structure of Atrinositol
CAS: 28841-62-5
CID: 65762
Formula: C6H15O15P3
MW: 420.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.10
XLogP3-7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass419.96238076
Monoisotopic Mass419.96238076
Topological Polar Surface Area261 Ų
Heavy Atom Count24
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19196101-01Atrinositol

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