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Bornesitol

CAT: 0013-GTR19243146-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243146-03Size:100 mg
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Description
BORNESITOL is a bioactive cyclitol from Hancornia speciosa, used as a marker for its cardiovascular research. It exhibits hypotensive effects in vivo by promoting NO-mediated vasodilation and inhibiting ACE, and serves as a methylation intermediate of quebrachitol in metabolic studies.
CAS Number
484-71-9
Smiles
O (C) [C@H]1[C@H] (O) [C@@H] (O) [C@H] (O) [C@@H] (O) [C@H]1O
Molecular Formula
C7H14O6
Molecular Weight
194.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Npc236271

1D-1-O-methyl-myo-inositol is a member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2R,3S,4S,5R,6S-isomer). It has a role as a plant metabolite.

CAS Number484-71-9
PubChem CID440078
IUPAC Name(1R,2S,4R,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
Molecular FormulaC7H14O6
Molecular Weight194.18
XLogP-3.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity158
SMILES
COC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O
InChI
InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5-,6-,7?/m1/s1
InChIKey
DSCFFEYYQKSRSV-DQUUFWEPSA-N
Chemical Structure
2D Structure
2D structure of Npc236271
CAS: 484-71-9
CID: 440078
Formula: C7H14O6
MW: 194.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP3-3.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass194.07903816
Monoisotopic Mass194.07903816
Topological Polar Surface Area110 Ų
Heavy Atom Count13
Formal Charge0
Complexity158
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
T201939-01Bornesitol

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