Pullulan

Relevant Data

Food Additives Approved in the United States

Food Additives Approved by WHO:

  • PULLULAN [show]

General Information

Chemical namePullulan
E No.E 1204
INS.1204
CAS number9057-02-7
GroupNo

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):
category(ies) Individual restriction(s)/exception(s) footnote
  • Other confectionery including breath refreshening microsweets (5.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis , only breath freshening microsweets in the form of films
  • Food supplements supplied in a solid form including capsules and tablets and similar forms, excluding chewable forms (17.1)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis , only in capsule and tablet form
  • There are no applications for this additive

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID131636581
IUPAC Name(2R,4S,5S)-2-[(3S,4R,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(methoxymethyl)oxane-3,4,5-triol
InChIInChI=1S/C20H36O16/c1-30-5-8-9(23)10(24)13(27)19(34-8)35-17-7(4-22)33-20(15(29)12(17)26)36-16-6(3-21)32-18(31-2)14(28)11(16)25/h6-29H,3-5H2,1-2H3/t6?,7?,8?,9-,10+,11-,12-,13?,14?,15?,16-,17-,18+,19-,20-/m1/s1
InChI KeyGFZFEWWPMNSVBS-WVZDODFGSA-N
Canonical SMILESCOCC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC)CO)CO)O)O)O
Molecular FormulaC20H36O16
WikipediaPullulan

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight532.492
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Complexity672.0
CACTVS Substructure Key Fingerprint A A A D c f B 4 P g A A A A A A A A A A A A A A A A A A A A A A A A A k S J A A A A A A A A A A A A A A G g A A C A A A C B S w g A M C C A A A B g A A A A A A A A A A A A A A A A A A A A A A A A A R E A I A A A A i Q A A F A A A H A A H A Y A w A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area247.0
Monoisotopic Mass532.2
Exact Mass532.2
XLogP3None
XLogP3-AA-6.4
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count36
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

From Pubchem

ADMET Predicted Profile --- Classification

Model Result Probability
Absorption
Blood-Brain BarrierBBB-0.6112
Human Intestinal AbsorptionHIA-0.7488
Caco-2 PermeabilityCaco2-0.7859
P-glycoprotein SubstrateSubstrate0.6515
P-glycoprotein InhibitorNon-inhibitor0.6407
Non-inhibitor0.8869
Renal Organic Cation TransporterNon-inhibitor0.8367
Distribution
Subcellular localizationMitochondria0.6479
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8368
CYP450 2D6 SubstrateNon-substrate0.8658
CYP450 3A4 SubstrateNon-substrate0.5250
CYP450 1A2 InhibitorNon-inhibitor0.9450
CYP450 2C9 InhibitorNon-inhibitor0.9211
CYP450 2D6 InhibitorNon-inhibitor0.9231
CYP450 2C19 InhibitorNon-inhibitor0.9008
CYP450 3A4 InhibitorNon-inhibitor0.9521
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9368
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9398
Non-inhibitor0.8465
AMES ToxicityNon AMES toxic0.8914
CarcinogensNon-carcinogens0.9578
Fish ToxicityLow FHMT0.9260
Tetrahymena Pyriformis ToxicityLow TPT0.6291
Honey Bee ToxicityHigh HBT0.6460
BiodegradationNot ready biodegradable0.7347
Acute Oral ToxicityIII0.5729
Carcinogenicity (Three-class)Non-required0.6722

From admetSAR

ADMET Predicted Profile --- Regression

Model Value Unit
Absorption
Aqueous solubility-0.6195LogS
Caco-2 Permeability-0.3167LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity1.6298LD50, mol/kg
Fish Toxicity2.4470pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.3231pIGC50, ug/L

From admetSAR