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Substance Name: Raffinose
RN: 512-69-6
UNII: N5O3QU595M
InChIKey: MUPFEKGTMRGPLJ-ZQSKZDJDSA-N

Note

  • A trisaccharide occurring in Australian manna (from Eucalyptus spp, Myrtaceae) and in cottonseed meal.

Molecular Formula

  • C18-H32-O16

Molecular Weight

  • 504.4348
 

Classification Codes

  • Antiviral (COVID-19)
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Raffinose

MeSH Heading

  • Raffinose

Synonyms

  • AI3-19427
  • d-(+)-Raffinose
  • D-Raffinose
  • EINECS 208-146-9
  • Gossypose
  • Melitose
  • Melitriose
  • NSC 170228
  • NSC 2025
  • Raffinose
  • UNII-N5O3QU595M

Systematic Names

  • alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl (1 to 6)-, hydrate
  • alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-
  • alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-
  • alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-
  • Raffinose
  • Raffinose, pure

Registry Numbers

CAS Registry Number

  • 512-69-6

FDA UNII

  • N5O3QU595M

Other Registry Number

  • 127230-13-1

System Generated Number

  • 0000512696

Structure Descriptors

InChI

InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1

InChIKey

MUPFEKGTMRGPLJ-ZQSKZDJDSA-N

Smiles

OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 80 deg C   EXP
log P (octanol-water) -6.760 (none)   EST
Water Solubility 2.03E+05 mg/L   EXP
Vapor Pressure 2.00E-25 mm Hg 25 EST
Henry's Law Constant 4.10E-30 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.80E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.