Structure

D-Pinitol

CAS
10284-63-6
Catalog Number
ACM10284636
Category
Inhibitors
Molecular Weight
194.18
Molecular Formula
C7H14O6

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Specification

Description
D-pinitol (3-O-Methyl-D-chiro-inositol) is a natural compound presented in several plants, like Pinaceae and Leguminosae plants. D-pinitol exerts hypoglycemic activity and protective effects in the cardiovascular system. D-pinitol has antiviral and larvicidal activities.
Synonyms
Pinit
IUPAC Name
(1S,2S,4S,5R)-6-Methoxycyclohexane-1,2,3,4,5-pentol
Canonical SMILES
COC1C(C(C(C(C1O)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?/m0/s1
InChI Key
DSCFFEYYQKSRSV-FEPQRWDDSA-N
Boiling Point
250.62 °C
Melting Point
179-185 °C(lit.)
Flash Point
145.6 °C
Density
1.2501 g/cm³
Solubility
Soluble in water
Appearance
Powder to crystal
Storage
Sealed in dry, room temperature
Complexity
158
Exact Mass
194.07903816
Isomeric SMILES
COC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O
Monoisotopic Mass
194.07903816
pKa
12.98±0.70(Predicted)
Refractive Index
1.5600
Shipping
Can be shipped at room temperature, where not in use may vary.
Solubility In Water
Soluble
Source
PlantsLeguminosaeGlycine max (L.) merr
Topological Polar Surface Area
110 Ų

Upstream Synthesis Route 1

  • 67-56-1
  • 125164-85-4
  • 10284-63-6

Reference: [1]Tetrahedron Letters,1989,vol. 30,p. 3113 - 3116

Downstream Synthesis Route 1

  • 10284-63-6
  • 3559-01-1

Reference: [1]Journal of the American Chemical Society,1957,vol. 79,p. 1171,1174
[2]Journal of the American Chemical Society,1962,vol. 84,p. 471 - 478

Downstream Synthesis Route 2

  • 10284-63-6
  • 57819-56-4

Reference: [1]Journal of the American Chemical Society,1952,vol. 74,p. 1479
[2]Journal of the American Chemical Society,1953,vol. 75,p. 648
[3]Journal of the Chemical Society,1952,p. 686,693

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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