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Home > Encyclopedia > (2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate

(2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate

(2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate structure

(2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate 

structure
  • CAS No:

    23784-11-4

  • Formula:

    C16H19NO7

  • Chemical Name:

    (2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate

  • Synonyms:

    Indol-3-ylacetylinositol; Iaa-inositol; Indol-3-ylacetyl-myoinositol; 2,3,4,5,6-pentahydroxycyclohexyl 1H-indol-3-ylacetate;

(2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate Basic Attributes

337.32500

337.11615195 g/mol

Characteristics

143.24000

-1.55970

1.6g/cm3

533.5ºC at 760mmHg

276.5ºC

1.717

3.26E-12mmHg at 25°C

Drug Information

IAA-inositol

Computed Properties

Molecular Weight:337.32
XLogP3:-1.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:337.11615195
Monoisotopic Mass:337.11615195
Topological Polar Surface Area:143
Heavy Atom Count:24
Complexity:446
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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