Basic information
- Name:
alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-, pentahydrate
- Superlist Name:
- D(+)-Raffinose pentahydrate
- CAS No.:
17629-30-0
- Molecular Structure:
- Formula:
- C18H
- Molecular Weight:
- 594.52
- Synonyms:
- Raffinose,pentahydrate (8CI);a-D-Glucopyranoside, b-D-fructofuranosyl O-a-D-galactopyranosyl-(1?;6)-, pentahydrate (9CI);D-(+)-Raffinose pentahydrate;D-Raffinosepentahydrate;
- Melting Point:
- 78-80.5 °C
- Boiling Point:
- 884.8 °C at 760 mmHg
- Flash Point:
- 488.9 °C
- Solubility:
- 143 g/L
- Safety Description:
- S24/25 Details
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Chemistry
Product Name: alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-, pentahydrate (CAS NO.17629-30-0)
Molecular Formula: C18H42O21
Molecular Weight: 594.5135g/mol
Mol File: 17629-30-0.mol
Boiling point: 884.8 °C at 760 mmHg
Flash Point: 488.9 °C
Enthalpy of Vaporization: 146.07 kJ/mol
H-Bond Donor: 16
H-Bond Acceptor: 21
Structure Descriptors of alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-, pentahydrate (CAS NO.17629-30-0):
IUPAC Name: 2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triolpentahydrate
Canonical SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O
InChI: InChI=1S/C18H32O16.5H2O/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;5*1H2
InChIKey: BITMAWRCWSHCRW-UHFFFAOYSA-N
Safety Profile
Safety Information of alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-, pentahydrate (CAS NO.17629-30-0):
Safety Statements: 24/25
24: Avoid contact with skin
25: Avoid contact with eyes